N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C22H31N3OS+2 MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-19-7-9-21(10-8-19)27-16-11-23-22(26)18-25-14-12-24(13-15-25)17-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26)/p+2