N-(4,5-dimethoxy-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C21H27N4O5+ MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H26N4O5/c1-14-11-19(29-3)20(30-4)13-16(14)22-21(26)15-5-6-17(18(12-15)25(27)28)24-9-7-23(2)8-10-24/h5-6,11-13H,7-10H2,1-4H3,(H,22,26)/p+1