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

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)propionamide Formula: C17H24ClN4O2+ MolecularWeight: 351.85106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H23ClN4O2/c1-12(16(23)20-17(24)19-14-5-6-14)21-7-9-22(10-8-21)15-4-2-3-13(18)11-15/h2-4,11-12,14H,5-10H2,1H3,(H2,19,20,23,24)/p+1/t12-/m0/s1