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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-18-7-9-20(10-8-18)26-16-11-22-21(25)17-23-12-14-24(15-13-23)19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25)/p+1