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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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