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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C(=C3)C)C)[N+](=O)[O-]

InChI

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