N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-[2-(p-tolylmethylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C23H31N3OS/c1-19-7-9-21(10-8-19)18-28-16-11-24-23(27)17-25-12-14-26(15-13-25)22-6-4-3-5-20(22)2/h3-10H,11-18H2,1-2H3,(H,24,27)/p+1