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

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-27-20-5-3-2-4-19(20)23-21(26)10-11-24-12-14-25(15-13-24)16-17-6-8-18(22)9-7-17/h2-9H,10-16H2,1H3,(H,23,26)/p+1