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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(4-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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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