4-[2-(1-methylpyridin-4-ylidene)pyrimidin-1-ium-5-ylidene]cyclohexa-2,5-dien-1-one tetrafluoroborate

Systemtic Name: 4-[2-(1-methylpyridin-4-ylidene)pyrimidin-1-ium-5-ylidene]cyclohexa-2,5-dien-1-one tetrafluoroborate Openeye Name: 4-[2-(1-methyl-4-pyridylidene)pyrimidin-1-ium-5-ylidene]cyclohexa-2,5-dien-1-one tetrafluoroborate CAS Name: 4-[2-(1-methyl-4-pyridinylidene)-5-pyrimidin-1-iumylidene]-1-cyclohexa-2,5-dienone tetrafluoroborate IUPAC Name: 4-[2-(1-methylpyridin-4-ylidene)pyrimidin-1-ium-5-ylidene]cyclohexa-2,5-dien-1-one tetrafluoroborate Traditional Name: 4-[2-(1-methyl-4-pyridylidene)pyrimidin-1-ium-5-ylidene]cyclohexa-2,5-dien-1-one tetrafluoroborate Formula: C16H14BF4N3O MolecularWeight: 351.106473

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN1C=CC(=C2[NH+]=CC(=C3C=CC(=O)C=C3)C=N2)C=C1

Isomeric SMILES

[B-](F)(F)(F)F.CN1C=CC(=C2[NH+]=CC(=C3C=CC(=O)C=C3)C=N2)C=C1

InChI

InChI=1S/C16H13N3O.BF4/c1-19-8-6-13(7-9-19)16-17-10-14(11-18-16)12-2-4-15(20)5-3-12;2-1(3,4)5/h2-11H,1H3;/q;-1/p+1