2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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