2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(p-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[2-[(4-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-methylbenzyl)thio]ethyl]acetamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-19-6-8-20(9-7-19)18-29-15-10-24-23(27)17-25-11-13-26(14-12-25)21-4-3-5-22(16-21)28-2/h3-9,16H,10-15,17-18H2,1-2H3,(H,24,27)/p+1