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

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate Openeye Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-nitrophenolate IUPAC Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-nitrophenolate Traditional Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-nitro-phenolate Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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