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

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)propionamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O/c1-15-6-5-7-17(14-15)22-20(25)16(2)23-10-12-24(13-11-23)19-9-4-3-8-18(19)21/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1