(2,4-dimethylphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone

Systemtic Name: (2,4-dimethylphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Openeye Name: (2,4-dimethylphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone CAS Name: (2,4-dimethylphenyl)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methanone Traditional Name: (2,4-dimethylphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H23N3O3/c1-14-4-6-17(15(2)12-14)20(24)18-13-16(23(25)26)5-7-19(18)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3/p+1