2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c1-14-5-7-18(26(28)29)21(16(14)3)23-20(27)13-24-8-10-25(11-9-24)19-12-17(22)6-4-15(19)2/h4-7,12H,8-11,13H2,1-3H3,(H,23,27)/p+1