(4-methylphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: (4-methylphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone Openeye Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methanone IUPAC Name: (4-methylphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methanone Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-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=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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