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

Systemtic Name: (2S)-N-(2-chlorophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chlorophenyl)propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-chlorophenyl)propanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chlorophenyl)propanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chlorophenyl)propionamide Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O2/c1-15(19(25)22-18-10-6-5-9-17(18)21)23-11-13-24(14-12-23)20(26)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,25)/p+1/t15-/m0/s1