3-acetamido-4-(4-methylphenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 3-acetamido-N-(3-piperidin-1-ium-1-ylpropyl)-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 3-acetamido-N-(3-piperidin-1-ium-1-ylpropyl)-4-(p-tolylthio)benzamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCCCC3)NC(=O)C

InChI

InChI=1S/C24H31N3O2S/c1-18-7-10-21(11-8-18)30-23-12-9-20(17-22(23)26-19(2)28)24(29)25-13-6-16-27-14-4-3-5-15-27/h7-12,17H,3-6,13-16H2,1-2H3,(H,25,29)(H,26,28)/p+1