bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide

C328H439Br4N23O11S15+12 — CID 159757169

IUPACbis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide
SMILESC=CS(=C)O.CC(C)(C)C(=O)C[S+]1CCCC1.CC1CCCCC1.CN(CCO)CCO.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCC([NH+](C)C)CC1.CN1CCC([NH+](C)C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.COC1CCN(C)CC1.COc1ccc(N2CCCCC2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].[Br-].[Br-].[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H17S.7C18H15S.3C13H16NS.C12H17NO.C12H15OS.2C11H22N2.C10H19OS.C9H21N2.2C8H18N2.C7H15NO.C7H14.3C6H14N2.C5H13NO2.C4H9NO4.C3H6OS.4BrH/c2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2*1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-10-7-5-9(6-8-10)11(2,3)4;2*1-9(2)8-4-6-10(3)7-5-8;1-8-5-3-7(9-2)4-6-8;1-7-5-3-2-4-6-7;3*1-7-3-5-8(2)6-4-7;1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;1-3-5(2)4;;;;/h2*2-15H,1H3;7*1-15H;3*2-3,6-7,10H,4-5,8-9H2,1H3;5-8H,2-4,9-10H2,1H3;1-3,6-7H,4-5,8-10H2;2*11H,2-10H2,1H3;4-8H2,1-3H3;9H,5-8H2,1-4H3;2*8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;3*3-6H2,1-2H3;7-8H,2-5H2,1H3;6H,1-4H2;3-4H,1-2H2;4*1H/q12*+1;;+1;;;2*+1;;;;;;;;;;;;;;/p-3
InChIKeyXLAUXNCGJMFHNB-UHFFFAOYSA-K
MW5680.89 g/mol
LogP51.44
Rot. Bonds50

About bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide

bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide (PubChem CID 159757169) has the molecular formula C328H439Br4N23O11S15+12 and a molecular weight of 5680.89 g/mol. Its IUPAC name is bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide.

Molecular Properties

Compound Namebis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide
PubChem CID159757169
Molecular FormulaC328H439Br4N23O11S15+12
Molecular Weight5680.89 g/mol
Exact Mass5671.70
IUPAC Namebis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide
SMILESC=CS(=C)O.CC(C)(C)C(=O)C[S+]1CCCC1.CC1CCCCC1.CN(CCO)CCO.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCC([NH+](C)C)CC1.CN1CCC([NH+](C)C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.COC1CCN(C)CC1.COc1ccc(N2CCCCC2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].[Br-].[Br-].[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H17S.7C18H15S.3C13H16NS.C12H17NO.C12H15OS.2C11H22N2.C10H19OS.C9H21N2.2C8H18N2.C7H15NO.C7H14.3C6H14N2.C5H13NO2.C4H9NO4.C3H6OS.4BrH/c2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2*1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-10-7-5-9(6-8-10)11(2,3)4;2*1-9(2)8-4-6-10(3)7-5-8;1-8-5-3-7(9-2)4-6-8;1-7-5-3-2-4-6-7;3*1-7-3-5-8(2)6-4-7;1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;1-3-5(2)4;;;;/h2*2-15H,1H3;7*1-15H;3*2-3,6-7,10H,4-5,8-9H2,1H3;5-8H,2-4,9-10H2,1H3;1-3,6-7H,4-5,8-10H2;2*11H,2-10H2,1H3;4-8H2,1-3H3;9H,5-8H2,1-4H3;2*8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;3*3-6H2,1-2H3;7-8H,2-5H2,1H3;6H,1-4H2;3-4H,1-2H2;4*1H/q12*+1;;+1;;;2*+1;;;;;;;;;;;;;;/p-3
InChIKeyXLAUXNCGJMFHNB-UHFFFAOYSA-K
XLogP51.44
TPSA242.79 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds50
Heavy Atoms381
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005680.89
LogP ≤ 551.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide with MolForge

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Related Compounds

(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;bis(2-[2-hydroxyethyl(methyl)amino]ethanol);bis(methylcyclohexane);(4-methylphenyl)-diphenylsulfanium;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidooxymorpholine;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tetrabromide
CID 157638219
Bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);tetrakis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tribromide
CID 159573887
(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;bis(2-[2-hydroxyethyl(methyl)amino]ethanol);bis(methylcyclohexane);(4-methylphenyl)-diphenylsulfanium;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;bis(3-oxidoperoxysulfanylpropan-1-amine);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tetrabromide
CID 160136736
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;1,4-dimethylpiperazine;1-methoxy-4-methylpiperazine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);bis(1,1,4-trimethylpiperazin-1-ium);tris(triphenylsulfanium);tetrabromide
CID 160419110
(4-cyclohexylphenyl)-diphenylsulfanium;bis(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;bis(2-[2-hydroxyethyl(methyl)amino]ethanol);methane;bis(methylcyclohexane);(4-methylphenyl)-diphenylsulfanium;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tetrabromide
CID 160563245
bis((4-cyclohexylphenyl)-diphenylsulfanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-(2-fluoro-4-methoxyphenyl)-3H-pyrrole;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;1-(4-methoxyphenyl)piperidine;[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(methylcyclohexane);3-methylpentane-1,5-diol;(4-methylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;4-oxidoperoxymorpholine;bis(3-oxidoperoxysulfanylpropylazanium);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;hexakis(triphenylsulfanium);dibromide
CID 161470998
Bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide
CID 162014301

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide?
The IUPAC name of bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide (CID 159757169) is bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide.
What is the SMILES notation for bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide?
The canonical SMILES for bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide is C=CS(=C)O.CC(C)(C)C(=O)C[S+]1CCCC1.CC1CCCCC1.CN(CCO)CCO.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCC([NH+](C)C)CC1.CN1CCC([NH+](C)C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.COC1CCN(C)CC1.COc1ccc(N2CCCCC2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].[Br-].[Br-].[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide?
The InChIKey is XLAUXNCGJMFHNB-UHFFFAOYSA-K. The full InChI is InChI=1S/2C19H17S.7C18H15S.3C13H16NS.C12H17NO.C12H15OS.2C11H22N2.C10H19OS.C9H21N2.2C8H18N2.C7H15NO.C7H14.3C6H14N2.C5H13NO2.C4H9NO4.C3H6OS.4BrH/c2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2*1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-10-7-5-9(6-8-10)11(2,3)4;2*1-9(2)8-4-6-10(3)7-5-8;1-8-5-3-7(9-2)4-6-8;1-7-5-3-2-4-6-7;3*1-7-3-5-8(2)6-4-7;1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;1-3-5(2)4;;;;/h2*2-15H,1H3;7*1-15H;3*2-3,6-7,10H,4-5,8-9H2,1H3;5-8H,2-4,9-10H2,1H3;1-3,6-7H,4-5,8-10H2;2*11H,2-10H2,1H3;4-8H2,1-3H3;9H,5-8H2,1-4H3;2*8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;3*3-6H2,1-2H3;7-8H,2-5H2,1H3;6H,1-4H2;3-4H,1-2H2;4*1H/q12*+1;;+1;;;2*+1;;;;;;;;;;;;;;/p-3.
What are the key properties of bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide?
bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide has a molecular weight of 5680.89 g/mol, XLogP of 51.44, 50 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyl-(1-methylpiperidin-4-yl)azanium);tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;methylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);bis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;heptakis(triphenylsulfanium);tetrabromide is sourced from PubChem (CID 159757169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).