4-(1,2-dihydropyridin-1-ium-4-yl)-1-(6-pyrrol-1-ylhexyl)pyridin-1-ium dihexafluorophosphate

Systemtic Name: 4-(1,2-dihydropyridin-1-ium-4-yl)-1-(6-pyrrol-1-ylhexyl)pyridin-1-ium dihexafluorophosphate Openeye Name: 4-(1,2-dihydropyridin-1-ium-4-yl)-1-(6-pyrrol-1-ylhexyl)pyridin-1-ium dihexafluorophosphate CAS Name: 4-(1,2-dihydropyridin-1-ium-4-yl)-1-[6-(1-pyrrolyl)hexyl]pyridin-1-ium dihexafluorophosphate IUPAC Name: 4-(1,2-dihydropyridin-1-ium-4-yl)-1-(6-pyrrol-1-ylhexyl)pyridin-1-ium dihexafluorophosphate Traditional Name: 4-(1,2-dihydropyridin-1-ium-4-yl)-1-(6-pyrrol-1-ylhexyl)pyridin-1-ium dihexafluorophosphate Formula: C20H27F12N3P2 MolecularWeight: 599.37684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C[NH2+]1)C2=CC=[N+](C=C2)CCCCCCN3C=CC=C3.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1C=C(C=C[NH2+]1)C2=CC=[N+](C=C2)CCCCCCN3C=CC=C3.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C20H26N3.2F6P/c1(3-13-22-15-5-6-16-22)2-4-14-23-17-9-20(10-18-23)19-7-11-21-12-8-19;2*1-7(2,3,4,5)6/h5-11,15-18,21H,1-4,12-14H2;;/q+1;2*-1/p+1