2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-6-nitro-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2-methoxy-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitrophenolate Traditional Name: 2-methoxy-6-nitro-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]phenolate Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4/c1-14-5-3-4-6-16(14)21-9-7-20(8-10-21)13-15-11-17(22(24)25)19(23)18(12-15)26-2/h3-6,11-12,23H,7-10,13H2,1-2H3