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

Systemtic Name: (4-methylphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methanone IUPAC Name: (4-methylphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methanone Traditional Name: [2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-(p-tolyl)methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-14-3-5-15(6-4-14)19(23)17-13-16(22(24)25)7-8-18(17)21-11-9-20(2)10-12-21/h3-8,13H,9-12H2,1-2H3/p+1