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

Systemtic Name: N-(4-chlorophenyl)-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-(4-chlorophenyl)acetamide CAS Name: N-(4-chlorophenyl)-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-chlorophenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-N-(4-chlorophenyl)acetamide Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-18-6-8-19(9-7-18)23-20(26)15-28-16-21(27)25-12-10-24(11-13-25)14-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,26)/p+1