2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O2S/c1-18-7-9-19(10-8-18)28-16-11-23-22(26)17-24-12-14-25(15-13-24)20-5-3-4-6-21(20)27-2/h3-10H,11-17H2,1-2H3,(H,23,26)/p+1