1-(1-diethoxyphosphorylethyl)-4-pyridin-4-yl-pyridin-1-ium

Systemtic Name: 1-(1-diethoxyphosphorylethyl)-4-pyridin-4-yl-pyridin-1-ium Openeye Name: 1-(1-diethoxyphosphorylethyl)-4-(4-pyridyl)pyridin-1-ium CAS Name: 1-(1-diethoxyphosphorylethyl)-4-pyridin-4-ylpyridin-1-ium IUPAC Name: 1-(1-diethoxyphosphorylethyl)-4-pyridin-4-ylpyridin-1-ium Traditional Name: 1-(1-diethoxyphosphorylethyl)-4-(4-pyridyl)pyridin-1-ium Formula: C16H22N2O3P+ MolecularWeight: 321.331241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)[N+]1=CC=C(C=C1)C2=CC=NC=C2)OCC

Isomeric SMILES

CCOP(=O)(C(C)[N+]1=CC=C(C=C1)C2=CC=NC=C2)OCC

InChI

InChI=1S/C16H22N2O3P/c1-4-20-22(19,21-5-2)14(3)18-12-8-16(9-13-18)15-6-10-17-11-7-15/h6-14H,4-5H2,1-3H3/q+1