N-(2-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-25-19-10-6-5-9-18(19)21-20(24)11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)/p+1