1-(2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(o-tolyl)-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2-methylphenyl)-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(o-tolyl)-4-(3-pyridylmethyl)piperazin-4-ium Formula: C17H22N3+ MolecularWeight: 268.37668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H21N3/c1-15-5-2-3-7-17(15)20-11-9-19(10-12-20)14-16-6-4-8-18-13-16/h2-8,13H,9-12,14H2,1H3/p+1