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

Systemtic Name: N-(4-methylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]acetamide IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-N-(p-tolyl)acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-18-7-9-20(10-8-18)23-21(26)16-28-17-22(27)25-13-11-24(12-14-25)15-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26)/p+1