1-methyl-4-(3-methylphenyl)-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-methylphenyl)-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-piperazin-1-ium Openeye Name: 1-methyl-4-(m-tolyl)-1-(1H-pyrazol-5-yl)-2-(4-pyridyl)piperazin-1-ium CAS Name: 1-methyl-4-(3-methylphenyl)-1-(1H-pyrazol-5-yl)-2-pyridin-4-ylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-methylphenyl)-1-(1H-pyrazol-5-yl)-2-pyridin-4-ylpiperazin-1-ium Traditional Name: 1-methyl-4-(m-tolyl)-1-(1H-pyrazol-5-yl)-2-(4-pyridyl)piperazin-1-ium Formula: C20H24N5+ MolecularWeight: 334.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[N+](C(C2)C3=CC=NC=C3)(C)C4=CC=NN4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[N+](C(C2)C3=CC=NC=C3)(C)C4=CC=NN4

InChI

InChI=1S/C20H24N5/c1-16-4-3-5-18(14-16)24-12-13-25(2,20-8-11-22-23-20)19(15-24)17-6-9-21-10-7-17/h3-11,14,19H,12-13,15H2,1-2H3,(H,22,23)/q+1