2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S/c1-27-21-10-6-5-9-20(21)25-14-12-24(13-15-25)17-22(26)23-11-16-28-18-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,23,26)/p+1