2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(2,5-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=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

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