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

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propionamide Formula: C17H26ClN4O2+ MolecularWeight: 353.86694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H25ClN4O2/c1-12(2)19-17(24)20-16(23)13(3)21-7-9-22(10-8-21)15-6-4-5-14(18)11-15/h4-6,11-13H,7-10H2,1-3H3,(H2,19,20,23,24)/p+1/t13-/m0/s1