6-[[4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoxaline

Systemtic Name: 6-[[4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoxaline Openeye Name: 6-[[4-[4-(2-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline CAS Name: 6-[[4-[4-(2-naphthalenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoxaline IUPAC Name: 6-[[4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoxaline Traditional Name: 6-[[4-[4-(2-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Formula: C27H26N5+ MolecularWeight: 420.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)C3=CC4=CC=CC=C4C=C3)CC5=CC6=NC=CN=C6C=C5

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)C3=CC4=CC=CC=C4C=C3)CC5=CC6=NC=CN=C6C=C5

InChI

InChI=1S/C27H25N5/c1-2-4-22-16-23(7-6-20(22)3-1)24-17-30-31-27(24)21-9-13-32(14-10-21)18-19-5-8-25-26(15-19)29-12-11-28-25/h1-8,11-12,15-17,21H,9-10,13-14,18H2,(H,30,31)/p+1