1-[4-[1-(4-cyanonaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid

Systemtic Name: 1-[4-[1-(4-cyanonaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[4-[1-(4-cyano-1-naphthyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[4-[1-(4-cyano-1-naphthalenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[4-[1-(4-cyanonaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[4-[1-(4-cyano-1-naphthyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Formula: C23H20N3O3P+2 MolecularWeight: 417.396961

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C4=CC=CC=C43)C#N)P(=O)(O)O

Isomeric SMILES

CC([N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C4=CC=CC=C43)C#N)P(=O)(O)O

InChI

InChI=1S/C23H18N3O3P/c1-17(30(27,28)29)25-12-8-18(9-13-25)19-10-14-26(15-11-19)23-7-6-20(16-24)21-4-2-3-5-22(21)23/h2-15,17H,1H3/p+2