1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium

C361H542N34O2S3+30 — CID 159498638

IUPAC1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium
SMILESCC(C)(C)c1ccc(C[N+](C)(C)C)cc1.CC(C)c1ccc(C[N+](C)(C)C)cc1.CC1(C)CC2CC[N+]1(C)C(C)(C)C2.CC1=[N+](C)c2cc3ccccc3cc2C1.CC1=[N+](C)c2cc3ccccc3cc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCC[N+](CCC)(CCC)Cc1ccccc1.CCC[N+]1=C(C)C(C)(C)c2ccccc21.CCC[n+]1c(C)sc2ccccc21.CCCc1ccc(C[N+](C)(C)C)cc1.CC[N+](CC)(CC)Cc1ccccc1.CCc1ccc(C[N+](C)(C)C)cc1.COc1ccc(C[N+](C)(C)C)cc1.C[N+](C)(C)Cc1ccc(-c2ccccc2)cc1.C[N+](C)(C)Cc1ccc(C2CCCC2)cc1.C[N+](C)(C)Cc1ccc(C2CCCCC2)cc1.C[N+](C)(C)Cc1ccc(O)cc1.C[N+](C)(C)Cc1ccccc1.C[N+]1(C)C2CCC1CC2.C[N+]12CCCCC1CCCC2.C[n+]1c[nH]c2ccccc21.C[n+]1csc2ccccc21.Cc1[nH]c2ccccc2[nH+]1.Cc1ccc(C[N+](C)(C)C)cc1.Cc1cccc(C[N+](C)(C)C)c1.Cc1ccccc1C[N+](C)(C)C.Cc1sc2ccccc2[n+]1C.c1ccc(-c2[nH]c3ccccc3[nH+]2)cc1.c1ccc2[nH+]c[nH]c2c1
InChIInChI=1S/C19H34N.C16H18N.C16H26N.C16H20N.C16H28N.C15H24N.C14H14N.C14H20N.C14H24N.C13H10N2.3C13H22N.C12H24N.C12H16N.C12H20N.C11H18NO.C11H14NS.3C11H18N.C10H15NO.C10H20N.C10H16N.C9H10NS.2C8H8N2.C8H8NS.C8H16N.C7H6N2/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;1-11-16(2,3)14-9-12-7-5-6-8-13(12)10-15(14)17(11)4;2*1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-16(2,3)12-13-8-10-15(11-9-13)14-6-4-5-7-14;1-10-7-13-8-11-5-3-4-6-12(11)9-14(13)15(10)2;1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15;1-14(2,3)13-9-7-12(8-10-13)11-15(4,5)6;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;1-5-6-12-7-9-13(10-8-12)11-14(2,3)4;1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-11(2)8-10-6-7-13(11,5)12(3,4)9-10;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5-11-6-8-12(9-7-11)10-13(2,3)4;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10-6-5-7-11(8-10)9-12(2,3)4;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11-8-4-2-6-10(11)7-3-5-9-11;1-11(2,3)9-10-7-5-4-6-8-10;1-7-10(2)8-5-3-4-6-9(8)11-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-9-6-10-8-5-3-2-4-7(8)9;1-9(2)7-3-4-8(9)6-5-7;1-2-4-7-6(3-1)8-5-9-7/h10-14H,4-9,15-18H2,1-3H3;5-10H,1-4H3;9-12,15H,4-8,13H2,1-3H3;4-12H,13H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;8-11,14H,4-7,12H2,1-3H3;3-6,8-9H,7H2,1-2H3;6-9H,5,10H2,1-4H3;7-10H,11H2,1-6H3;1-9H,(H,14,15);6-9,11H,10H2,1-5H3;7-10H,5-6,11H2,1-4H3;7-11H,4-6,12H2,1-3H3;10H,6-9H2,1-5H3;5-8H,1-4H3;6-9H,5,10H2,1-4H3;5-8H,9H2,1-4H3;4-7H,3,8H2,1-2H3;3*5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;10H,2-9H2,1H3;4-8H,9H2,1-3H3;3-6H,1-2H3;2-6H,1H3;2-5H,1H3,(H,9,10);2-6H,1H3;7-8H,3-6H2,1-2H3;1-5H,(H,8,9)/q9*+1;;11*+1;;3*+1;;;2*+1;/p+5
InChIKeyLZCGWVOUWPZLRD-UHFFFAOYSA-S
MW5486.74 g/mol
LogP79.40
Rot. Bonds63

About 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium

1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium (PubChem CID 159498638) has the molecular formula C361H542N34O2S3+30 and a molecular weight of 5486.74 g/mol. Its IUPAC name is 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium.

Molecular Properties

Compound Name1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium
PubChem CID159498638
Molecular FormulaC361H542N34O2S3+30
Molecular Weight5486.74 g/mol
Exact Mass5482.24
IUPAC Name1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium
SMILESCC(C)(C)c1ccc(C[N+](C)(C)C)cc1.CC(C)c1ccc(C[N+](C)(C)C)cc1.CC1(C)CC2CC[N+]1(C)C(C)(C)C2.CC1=[N+](C)c2cc3ccccc3cc2C1.CC1=[N+](C)c2cc3ccccc3cc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCC[N+](CCC)(CCC)Cc1ccccc1.CCC[N+]1=C(C)C(C)(C)c2ccccc21.CCC[n+]1c(C)sc2ccccc21.CCCc1ccc(C[N+](C)(C)C)cc1.CC[N+](CC)(CC)Cc1ccccc1.CCc1ccc(C[N+](C)(C)C)cc1.COc1ccc(C[N+](C)(C)C)cc1.C[N+](C)(C)Cc1ccc(-c2ccccc2)cc1.C[N+](C)(C)Cc1ccc(C2CCCC2)cc1.C[N+](C)(C)Cc1ccc(C2CCCCC2)cc1.C[N+](C)(C)Cc1ccc(O)cc1.C[N+](C)(C)Cc1ccccc1.C[N+]1(C)C2CCC1CC2.C[N+]12CCCCC1CCCC2.C[n+]1c[nH]c2ccccc21.C[n+]1csc2ccccc21.Cc1[nH]c2ccccc2[nH+]1.Cc1ccc(C[N+](C)(C)C)cc1.Cc1cccc(C[N+](C)(C)C)c1.Cc1ccccc1C[N+](C)(C)C.Cc1sc2ccccc2[n+]1C.c1ccc(-c2[nH]c3ccccc3[nH+]2)cc1.c1ccc2[nH+]c[nH]c2c1
InChIInChI=1S/C19H34N.C16H18N.C16H26N.C16H20N.C16H28N.C15H24N.C14H14N.C14H20N.C14H24N.C13H10N2.3C13H22N.C12H24N.C12H16N.C12H20N.C11H18NO.C11H14NS.3C11H18N.C10H15NO.C10H20N.C10H16N.C9H10NS.2C8H8N2.C8H8NS.C8H16N.C7H6N2/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;1-11-16(2,3)14-9-12-7-5-6-8-13(12)10-15(14)17(11)4;2*1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-16(2,3)12-13-8-10-15(11-9-13)14-6-4-5-7-14;1-10-7-13-8-11-5-3-4-6-12(11)9-14(13)15(10)2;1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15;1-14(2,3)13-9-7-12(8-10-13)11-15(4,5)6;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;1-5-6-12-7-9-13(10-8-12)11-14(2,3)4;1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-11(2)8-10-6-7-13(11,5)12(3,4)9-10;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5-11-6-8-12(9-7-11)10-13(2,3)4;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10-6-5-7-11(8-10)9-12(2,3)4;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11-8-4-2-6-10(11)7-3-5-9-11;1-11(2,3)9-10-7-5-4-6-8-10;1-7-10(2)8-5-3-4-6-9(8)11-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-9-6-10-8-5-3-2-4-7(8)9;1-9(2)7-3-4-8(9)6-5-7;1-2-4-7-6(3-1)8-5-9-7/h10-14H,4-9,15-18H2,1-3H3;5-10H,1-4H3;9-12,15H,4-8,13H2,1-3H3;4-12H,13H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;8-11,14H,4-7,12H2,1-3H3;3-6,8-9H,7H2,1-2H3;6-9H,5,10H2,1-4H3;7-10H,11H2,1-6H3;1-9H,(H,14,15);6-9,11H,10H2,1-5H3;7-10H,5-6,11H2,1-4H3;7-11H,4-6,12H2,1-3H3;10H,6-9H2,1-5H3;5-8H,1-4H3;6-9H,5,10H2,1-4H3;5-8H,9H2,1-4H3;4-7H,3,8H2,1-2H3;3*5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;10H,2-9H2,1H3;4-8H,9H2,1-3H3;3-6H,1-2H3;2-6H,1H3;2-5H,1H3,(H,9,10);2-6H,1H3;7-8H,3-6H2,1-2H3;1-5H,(H,8,9)/q9*+1;;11*+1;;3*+1;;;2*+1;/p+5
InChIKeyLZCGWVOUWPZLRD-UHFFFAOYSA-S
XLogP79.40
TPSA162.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds63
Heavy Atoms400
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005486.74
LogP ≤ 579.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium with MolForge

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What is the IUPAC name of 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium?
The IUPAC name of 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium (CID 159498638) is 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium.
What is the SMILES notation for 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium?
The canonical SMILES for 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium is CC(C)(C)c1ccc(C[N+](C)(C)C)cc1.CC(C)c1ccc(C[N+](C)(C)C)cc1.CC1(C)CC2CC[N+]1(C)C(C)(C)C2.CC1=[N+](C)c2cc3ccccc3cc2C1.CC1=[N+](C)c2cc3ccccc3cc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCC[N+](CCC)(CCC)Cc1ccccc1.CCC[N+]1=C(C)C(C)(C)c2ccccc21.CCC[n+]1c(C)sc2ccccc21.CCCc1ccc(C[N+](C)(C)C)cc1.CC[N+](CC)(CC)Cc1ccccc1.CCc1ccc(C[N+](C)(C)C)cc1.COc1ccc(C[N+](C)(C)C)cc1.C[N+](C)(C)Cc1ccc(-c2ccccc2)cc1.C[N+](C)(C)Cc1ccc(C2CCCC2)cc1.C[N+](C)(C)Cc1ccc(C2CCCCC2)cc1.C[N+](C)(C)Cc1ccc(O)cc1.C[N+](C)(C)Cc1ccccc1.C[N+]1(C)C2CCC1CC2.C[N+]12CCCCC1CCCC2.C[n+]1c[nH]c2ccccc21.C[n+]1csc2ccccc21.Cc1[nH]c2ccccc2[nH+]1.Cc1ccc(C[N+](C)(C)C)cc1.Cc1cccc(C[N+](C)(C)C)c1.Cc1ccccc1C[N+](C)(C)C.Cc1sc2ccccc2[n+]1C.c1ccc(-c2[nH]c3ccccc3[nH+]2)cc1.c1ccc2[nH+]c[nH]c2c1.
What is the InChIKey of 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium?
The InChIKey is LZCGWVOUWPZLRD-UHFFFAOYSA-S. The full InChI is InChI=1S/C19H34N.C16H18N.C16H26N.C16H20N.C16H28N.C15H24N.C14H14N.C14H20N.C14H24N.C13H10N2.3C13H22N.C12H24N.C12H16N.C12H20N.C11H18NO.C11H14NS.3C11H18N.C10H15NO.C10H20N.C10H16N.C9H10NS.2C8H8N2.C8H8NS.C8H16N.C7H6N2/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;1-11-16(2,3)14-9-12-7-5-6-8-13(12)10-15(14)17(11)4;2*1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-16(2,3)12-13-8-10-15(11-9-13)14-6-4-5-7-14;1-10-7-13-8-11-5-3-4-6-12(11)9-14(13)15(10)2;1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15;1-14(2,3)13-9-7-12(8-10-13)11-15(4,5)6;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;1-5-6-12-7-9-13(10-8-12)11-14(2,3)4;1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-11(2)8-10-6-7-13(11,5)12(3,4)9-10;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5-11-6-8-12(9-7-11)10-13(2,3)4;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10-6-5-7-11(8-10)9-12(2,3)4;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11-8-4-2-6-10(11)7-3-5-9-11;1-11(2,3)9-10-7-5-4-6-8-10;1-7-10(2)8-5-3-4-6-9(8)11-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-9-6-10-8-5-3-2-4-7(8)9;1-9(2)7-3-4-8(9)6-5-7;1-2-4-7-6(3-1)8-5-9-7/h10-14H,4-9,15-18H2,1-3H3;5-10H,1-4H3;9-12,15H,4-8,13H2,1-3H3;4-12H,13H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;8-11,14H,4-7,12H2,1-3H3;3-6,8-9H,7H2,1-2H3;6-9H,5,10H2,1-4H3;7-10H,11H2,1-6H3;1-9H,(H,14,15);6-9,11H,10H2,1-5H3;7-10H,5-6,11H2,1-4H3;7-11H,4-6,12H2,1-3H3;10H,6-9H2,1-5H3;5-8H,1-4H3;6-9H,5,10H2,1-4H3;5-8H,9H2,1-4H3;4-7H,3,8H2,1-2H3;3*5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;10H,2-9H2,1H3;4-8H,9H2,1-3H3;3-6H,1-2H3;2-6H,1H3;2-5H,1H3,(H,9,10);2-6H,1H3;7-8H,3-6H2,1-2H3;1-5H,(H,8,9)/q9*+1;;11*+1;;3*+1;;;2*+1;/p+5.
What are the key properties of 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium?
1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium has a molecular weight of 5486.74 g/mol, XLogP of 79.40, 63 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-3-ium;benzyl(tributyl)azanium;benzyl(triethyl)azanium;benzyl(trimethyl)azanium;benzyl(tripropyl)azanium;(4-tert-butylphenyl)methyl-trimethylazanium;(4-cyclohexylphenyl)methyl-trimethylazanium;(4-cyclopentylphenyl)methyl-trimethylazanium;7,7-dimethyl-7-azoniabicyclo[2.2.1]heptane;1,2-dimethyl-3H-benzo[f]indol-1-ium;2,3-dimethyl-1,3-benzothiazol-3-ium;(4-ethylphenyl)methyl-trimethylazanium;(4-hydroxyphenyl)methyl-trimethylazanium;(4-methoxyphenyl)methyl-trimethylazanium;5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium;2-methyl-1H-benzimidazol-3-ium;3-methyl-1H-benzimidazol-3-ium;3-methyl-1,3-benzothiazol-3-ium;2-methyl-3-propyl-1,3-benzothiazol-3-ium;1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane;2-phenyl-1H-benzimidazol-3-ium;1,2,3,3-tetramethylbenzo[f]indol-1-ium;1,2,3,3-tetramethylindol-1-ium;trimethyl-[(2-methylphenyl)methyl]azanium;trimethyl-[(3-methylphenyl)methyl]azanium;trimethyl-[(4-methylphenyl)methyl]azanium;trimethyl-[(4-phenylphenyl)methyl]azanium;trimethyl-[(4-propan-2-ylphenyl)methyl]azanium;2,3,3-trimethyl-1-propylindol-1-ium;trimethyl-[(4-propylphenyl)methyl]azanium is sourced from PubChem (CID 159498638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).