2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C19H23N3O3/c1-14-4-3-5-18(15(14)2)21-10-8-20(9-11-21)13-16-12-17(22(24)25)6-7-19(16)23/h3-7,12,23H,8-11,13H2,1-2H3