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

Systemtic Name: 1-(2-methylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-(2-methylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-nitrobenzyl)-4-(o-tolyl)piperazin-1-ium Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2/c1-15-5-2-3-8-18(15)20-11-9-19(10-12-20)14-16-6-4-7-17(13-16)21(22)23/h2-8,13H,9-12,14H2,1H3/p+1