(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O2/c1-22-20(27)23-19(26)18(15-6-3-2-4-7-15)25-12-10-24(11-13-25)17-9-5-8-16(21)14-17/h2-9,14,18H,10-13H2,1H3,(H2,22,23,26,27)/p+1/t18-/m0/s1