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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O3/c1-14-10-18(19(25(27)28)11-15(14)2)22-20(26)13-23-6-8-24(9-7-23)17-5-3-4-16(21)12-17/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,26)/p+1