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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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