N-(2-chlorophenyl)-2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-(4-acetyl-2-nitrophenyl)-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(4-acetyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C20H22ClN4O4+ MolecularWeight: 417.86608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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