1-[4-[1-(3-propylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dihexafluorophosphate

Systemtic Name: 1-[4-[1-(3-propylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dihexafluorophosphate Openeye Name: 1-[4-[1-(3-propylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dihexafluorophosphate CAS Name: 1-[4-[1-(3-propylphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid dihexafluorophosphate IUPAC Name: 1-[4-[1-(3-propylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dihexafluorophosphate Traditional Name: 1-[4-[1-(3-propylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dihexafluorophosphate Formula: C21H25F12N2O3P3 MolecularWeight: 674.336921

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C(C)P(=O)(O)O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCC1=CC(=CC=C1)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C(C)P(=O)(O)O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C21H23N2O3P.2F6P/c1-3-5-18-6-4-7-21(16-18)23-14-10-20(11-15-23)19-8-12-22(13-9-19)17(2)27(24,25)26;2*1-7(2,3,4,5)6/h4,6-17H,3,5H2,1-2H3;;/q;2*-1/p+2