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

Systemtic Name: N-(2-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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