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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(2-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/c1-15-6-5-9-18(16(15)2)21-12-10-20(11-13-21)14-17-7-3-4-8-19(17)22(23)24/h3-9H,10-14H2,1-2H3/p+1