2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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