1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium

C218H250N55O6S6+29 — CID 158184021

IUPAC1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium
SMILESC[N+]1(C)CCCC1.C[N+]12CCC(CC1)CC2.C[n+]1ccc2[nH]ccc2c1.C[n+]1ccc2[nH]ncc2c1.C[n+]1ccc2[nH]ncc2c1.C[n+]1ccc2cc[nH]c2c1.C[n+]1ccc2ccccc2c1.C[n+]1ccc2ccoc2c1.C[n+]1ccc2ccsc2c1.C[n+]1ccc2cn[nH]c2c1.C[n+]1ccc2nc[nH]c2c1.C[n+]1ccc2ncoc2c1.C[n+]1ccc2ncsc2c1.C[n+]1ccc2ocnc2c1.C[n+]1ccc2scnc2c1.C[n+]1cccc2[nH]ccc21.C[n+]1cccc2[nH]cnc21.C[n+]1cccc2[nH]ncc21.C[n+]1cccc2c1CCC2.C[n+]1cccc2cc[nH]c21.C[n+]1cccc2ccccc21.C[n+]1cccc2ccoc21.C[n+]1cccc2ccsc21.C[n+]1cccc2cn[nH]c21.C[n+]1cccc2ncoc21.C[n+]1cccc2ncsc21.C[n+]1cccc2ocnc21.C[n+]1cccc2scnc21.C[n+]1ccccc1
InChIInChI=1S/2C10H10N.C9H12N.4C8H8N2.2C8H8NO.2C8H8NS.C8H16N.7C7H7N3.4C7H7N2O.4C7H7N2S.C6H14N.C6H8N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-7-3-5-8-4-2-6-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;1-10-5-3-7-2-4-9-8(7)6-10;1-10-6-2-3-7-8(10)4-5-9-7;1-10-6-2-3-7-4-5-9-8(7)10;1-9-4-2-7-3-5-10-8(7)6-9;1-9-5-2-3-7-4-6-10-8(7)9;1-9-4-2-7-3-5-10-8(7)6-9;1-9-5-2-3-7-4-6-10-8(7)9;1-9-5-2-8(3-6-9)4-7-9;2*1-10-3-2-7-6(5-10)4-8-9-7;1-10-3-2-6-7(4-10)9-5-8-6;1-10-3-2-6-4-8-9-7(6)5-10;1-10-4-2-3-6-7(10)9-5-8-6;1-10-4-2-3-6-7(10)5-8-9-6;1-10-4-2-3-6-5-8-9-7(6)10;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-4-2-3-6-7(9)8-5-10-6;1-9-4-2-3-6-7(9)10-5-8-6;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-4-2-3-6-7(9)8-5-10-6;1-9-4-2-3-6-7(9)10-5-8-6;1-7(2)5-3-4-6-7;1-7-5-3-2-4-6-7/h2*2-8H,1H3;3,5,7H,2,4,6H2,1H3;8*2-6H,1H3;8H,2-7H2,1H3;15*2-5H,1H3;3-6H2,1-2H3;2-6H,1H3/q3*+1;;;;;5*+1;;;;;;;;10*+1/p+11
InChIKeyFYXWAUNQTJUHMJ-UHFFFAOYSA-Y
MW3929.18 g/mol
LogP26.68
Rot. Bonds

About 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium

1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium (PubChem CID 158184021) has the molecular formula C218H250N55O6S6+29 and a molecular weight of 3929.18 g/mol. Its IUPAC name is 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Name1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium
PubChem CID158184021
Molecular FormulaC218H250N55O6S6+29
Molecular Weight3929.18 g/mol
Exact Mass3925.91
IUPAC Name1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium
SMILESC[N+]1(C)CCCC1.C[N+]12CCC(CC1)CC2.C[n+]1ccc2[nH]ccc2c1.C[n+]1ccc2[nH]ncc2c1.C[n+]1ccc2[nH]ncc2c1.C[n+]1ccc2cc[nH]c2c1.C[n+]1ccc2ccccc2c1.C[n+]1ccc2ccoc2c1.C[n+]1ccc2ccsc2c1.C[n+]1ccc2cn[nH]c2c1.C[n+]1ccc2nc[nH]c2c1.C[n+]1ccc2ncoc2c1.C[n+]1ccc2ncsc2c1.C[n+]1ccc2ocnc2c1.C[n+]1ccc2scnc2c1.C[n+]1cccc2[nH]ccc21.C[n+]1cccc2[nH]cnc21.C[n+]1cccc2[nH]ncc21.C[n+]1cccc2c1CCC2.C[n+]1cccc2cc[nH]c21.C[n+]1cccc2ccccc21.C[n+]1cccc2ccoc21.C[n+]1cccc2ccsc21.C[n+]1cccc2cn[nH]c21.C[n+]1cccc2ncoc21.C[n+]1cccc2ncsc21.C[n+]1cccc2ocnc21.C[n+]1cccc2scnc21.C[n+]1ccccc1
InChIInChI=1S/2C10H10N.C9H12N.4C8H8N2.2C8H8NO.2C8H8NS.C8H16N.7C7H7N3.4C7H7N2O.4C7H7N2S.C6H14N.C6H8N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-7-3-5-8-4-2-6-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;1-10-5-3-7-2-4-9-8(7)6-10;1-10-6-2-3-7-8(10)4-5-9-7;1-10-6-2-3-7-4-5-9-8(7)10;1-9-4-2-7-3-5-10-8(7)6-9;1-9-5-2-3-7-4-6-10-8(7)9;1-9-4-2-7-3-5-10-8(7)6-9;1-9-5-2-3-7-4-6-10-8(7)9;1-9-5-2-8(3-6-9)4-7-9;2*1-10-3-2-7-6(5-10)4-8-9-7;1-10-3-2-6-7(4-10)9-5-8-6;1-10-3-2-6-4-8-9-7(6)5-10;1-10-4-2-3-6-7(10)9-5-8-6;1-10-4-2-3-6-7(10)5-8-9-6;1-10-4-2-3-6-5-8-9-7(6)10;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-4-2-3-6-7(9)8-5-10-6;1-9-4-2-3-6-7(9)10-5-8-6;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-4-2-3-6-7(9)8-5-10-6;1-9-4-2-3-6-7(9)10-5-8-6;1-7(2)5-3-4-6-7;1-7-5-3-2-4-6-7/h2*2-8H,1H3;3,5,7H,2,4,6H2,1H3;8*2-6H,1H3;8H,2-7H2,1H3;15*2-5H,1H3;3-6H2,1-2H3;2-6H,1H3/q3*+1;;;;;5*+1;;;;;;;;10*+1/p+11
InChIKeyFYXWAUNQTJUHMJ-UHFFFAOYSA-Y
XLogP26.68
TPSA550.64 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003929.18
LogP ≤ 526.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium with MolForge

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What is the IUPAC name of 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium?
The IUPAC name of 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium (CID 158184021) is 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium.
What is the SMILES notation for 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium?
The canonical SMILES for 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium is C[N+]1(C)CCCC1.C[N+]12CCC(CC1)CC2.C[n+]1ccc2[nH]ccc2c1.C[n+]1ccc2[nH]ncc2c1.C[n+]1ccc2[nH]ncc2c1.C[n+]1ccc2cc[nH]c2c1.C[n+]1ccc2ccccc2c1.C[n+]1ccc2ccoc2c1.C[n+]1ccc2ccsc2c1.C[n+]1ccc2cn[nH]c2c1.C[n+]1ccc2nc[nH]c2c1.C[n+]1ccc2ncoc2c1.C[n+]1ccc2ncsc2c1.C[n+]1ccc2ocnc2c1.C[n+]1ccc2scnc2c1.C[n+]1cccc2[nH]ccc21.C[n+]1cccc2[nH]cnc21.C[n+]1cccc2[nH]ncc21.C[n+]1cccc2c1CCC2.C[n+]1cccc2cc[nH]c21.C[n+]1cccc2ccccc21.C[n+]1cccc2ccoc21.C[n+]1cccc2ccsc21.C[n+]1cccc2cn[nH]c21.C[n+]1cccc2ncoc21.C[n+]1cccc2ncsc21.C[n+]1cccc2ocnc21.C[n+]1cccc2scnc21.C[n+]1ccccc1.
What is the InChIKey of 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium?
The InChIKey is FYXWAUNQTJUHMJ-UHFFFAOYSA-Y. The full InChI is InChI=1S/2C10H10N.C9H12N.4C8H8N2.2C8H8NO.2C8H8NS.C8H16N.7C7H7N3.4C7H7N2O.4C7H7N2S.C6H14N.C6H8N/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-7-3-5-8-4-2-6-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;1-10-5-3-7-2-4-9-8(7)6-10;1-10-6-2-3-7-8(10)4-5-9-7;1-10-6-2-3-7-4-5-9-8(7)10;1-9-4-2-7-3-5-10-8(7)6-9;1-9-5-2-3-7-4-6-10-8(7)9;1-9-4-2-7-3-5-10-8(7)6-9;1-9-5-2-3-7-4-6-10-8(7)9;1-9-5-2-8(3-6-9)4-7-9;2*1-10-3-2-7-6(5-10)4-8-9-7;1-10-3-2-6-7(4-10)9-5-8-6;1-10-3-2-6-4-8-9-7(6)5-10;1-10-4-2-3-6-7(10)9-5-8-6;1-10-4-2-3-6-7(10)5-8-9-6;1-10-4-2-3-6-5-8-9-7(6)10;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-4-2-3-6-7(9)8-5-10-6;1-9-4-2-3-6-7(9)10-5-8-6;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-4-2-3-6-7(9)8-5-10-6;1-9-4-2-3-6-7(9)10-5-8-6;1-7(2)5-3-4-6-7;1-7-5-3-2-4-6-7/h2*2-8H,1H3;3,5,7H,2,4,6H2,1H3;8*2-6H,1H3;8H,2-7H2,1H3;15*2-5H,1H3;3-6H2,1-2H3;2-6H,1H3/q3*+1;;;;;5*+1;;;;;;;;10*+1/p+11.
What are the key properties of 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium?
1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium has a molecular weight of 3929.18 g/mol, XLogP of 26.68, 0 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpyrrolidin-1-ium;1-methyl-1-azoniabicyclo[2.2.2]octane;1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-methylfuro[2,3-b]pyridin-7-ium;6-methylfuro[2,3-c]pyridin-6-ium;4-methyl-1H-imidazo[4,5-b]pyridin-4-ium;5-methyl-3H-imidazo[4,5-c]pyridin-5-ium;2-methylisoquinolin-2-ium;4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;4-methyl-1H-pyrazolo[4,5-b]pyridin-4-ium;7-methyl-1H-pyrazolo[5,4-b]pyridin-7-ium;bis(5-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium);6-methyl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-methylpyridin-1-ium;4-methyl-1H-pyrrolo[3,2-b]pyridin-4-ium;7-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium;5-methyl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-methyl-1H-pyrrolo[2,3-c]pyridin-6-ium;1-methylquinolin-1-ium;4-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium;5-methyl-[1,3]thiazolo[4,5-c]pyridin-5-ium;5-methyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;7-methylthieno[2,3-b]pyridin-7-ium;6-methylthieno[2,3-c]pyridin-6-ium is sourced from PubChem (CID 158184021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).