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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O3/c1-14-11-17(24(26)27)5-6-18(14)21-19(25)13-22-7-9-23(10-8-22)16-4-2-3-15(20)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)/p+1