3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3OS/c1-26-19-8-3-2-7-18(19)22-20(25)9-10-23-11-13-24(14-12-23)17-6-4-5-16(21)15-17/h2-8,15H,9-14H2,1H3,(H,22,25)/p+1