2-methyl-3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline

Systemtic Name: 2-methyl-3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Openeye Name: 2-methyl-3-[[4-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline CAS Name: 2-methyl-3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoxaline IUPAC Name: 2-methyl-3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Traditional Name: 2-methyl-3-[[4-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Formula: C25H28N5+ MolecularWeight: 398.52332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5N=C4C

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5N=C4C

InChI

InChI=1S/C25H27N5/c1-17-7-3-4-8-20(17)21-15-26-29-25(21)19-11-13-30(14-12-19)16-24-18(2)27-22-9-5-6-10-23(22)28-24/h3-10,15,19H,11-14,16H2,1-2H3,(H,26,29)/p+1