1-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-15-6-7-16(2)19(12-15)21-10-8-20(9-11-21)14-17-4-3-5-18(13-17)22(23)24/h3-7,12-13H,8-11,14H2,1-2H3/p+1