1-(phenylmethyl)-3-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium

Systemtic Name: 1-(phenylmethyl)-3-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium Openeye Name: 1-benzyl-3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium CAS Name: 1-(phenylmethyl)-3-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium IUPAC Name: 1-benzyl-3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium Traditional Name: 1-benzyl-3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium Formula: C22H20N3+ MolecularWeight: 326.4143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN2)C3=C[N+](=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN2)C3=C[N+](=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N3/c1-3-8-18(9-4-1)14-21-15-22(24-23-21)20-12-7-13-25(17-20)16-19-10-5-2-6-11-19/h1-13,15,17H,14,16H2,(H,23,24)/q+1