N-methyl-N'-(4-methylphenyl)sulfonyl-N-(1-methylpiperidin-1-ium-4-yl)benzenecarboximidamide

Systemtic Name: N-methyl-N'-(4-methylphenyl)sulfonyl-N-(1-methylpiperidin-1-ium-4-yl)benzenecarboximidamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-N'-(p-tolylsulfonyl)benzamidine CAS Name: N-methyl-N'-(4-methylphenyl)sulfonyl-N-(1-methyl-4-piperidin-1-iumyl)benzenecarboximidamide IUPAC Name: N-methyl-N'-(4-methylphenyl)sulfonyl-N-(1-methylpiperidin-1-ium-4-yl)benzenecarboximidamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-N'-tosyl-benzamidine Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N3O2S/c1-17-9-11-20(12-10-17)27(25,26)22-21(18-7-5-4-6-8-18)24(3)19-13-15-23(2)16-14-19/h4-12,19H,13-16H2,1-3H3/p+1