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

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylthio)acetamide Formula: C26H30N3OS+ MolecularWeight: 432.6009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3OS/c1-21-7-13-25(14-8-21)31-20-26(30)27-23-9-11-24(12-10-23)29-17-15-28(16-18-29)19-22-5-3-2-4-6-22/h2-14H,15-20H2,1H3,(H,27,30)/p+1