(2S)-N-(4-chloranyl-3-nitro-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(4-chloranyl-3-nitro-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide Formula: C20H22ClN4O4+ MolecularWeight: 417.86608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4/c1-14(26)23-9-11-24(12-10-23)19(15-5-3-2-4-6-15)20(27)22-16-7-8-17(21)18(13-16)25(28)29/h2-8,13,19H,9-12H2,1H3,(H,22,27)/p+1/t19-/m0/s1