N-(4-methylphenyl)-2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: 2-[2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]-N-(p-tolyl)acetamide Formula: C27H35N4O3S+ MolecularWeight: 495.6568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C27H34N4O3S/c1-21-9-11-22(12-10-21)28-25(32)20-35-24-8-4-3-7-23(24)27(34)31-17-15-29(16-18-31)19-26(33)30-13-5-2-6-14-30/h3-4,7-12H,2,5-6,13-20H2,1H3,(H,28,32)/p+1