2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C20H24ClN4O4+ MolecularWeight: 419.88196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O4/c1-14-10-18(25(27)28)19(29-2)12-17(14)22-20(26)13-23-6-8-24(9-7-23)16-5-3-4-15(21)11-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,26)/p+1