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

Systemtic Name: 1-(1-diethoxyphosphorylethyl)-4-pyridin-1-ium-4-yl-pyridin-1-ium dibromide Openeye Name: 1-(1-diethoxyphosphorylethyl)-4-pyridin-1-ium-4-yl-pyridin-1-ium dibromide CAS Name: 1-(1-diethoxyphosphorylethyl)-4-(4-pyridin-1-iumyl)pyridin-1-ium dibromide IUPAC Name: 1-(1-diethoxyphosphorylethyl)-4-pyridin-1-ium-4-ylpyridin-1-ium dibromide Traditional Name: 1-(1-diethoxyphosphorylethyl)-4-pyridin-1-ium-4-yl-pyridin-1-ium dibromide Formula: C16H23Br2N2O3P MolecularWeight: 482.147181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)[N+]1=CC=C(C=C1)C2=CC=[NH+]C=C2)OCC.[Br-].[Br-]

Isomeric SMILES

CCOP(=O)(C(C)[N+]1=CC=C(C=C1)C2=CC=[NH+]C=C2)OCC.[Br-].[Br-]

InChI

InChI=1S/C16H22N2O3P.2BrH/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;2*1H/q+1;;/p-1