2-oxidanyl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid tetrafluoroborate

Systemtic Name: 2-oxidanyl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid tetrafluoroborate Openeye Name: 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid tetrafluoroborate CAS Name: 2-hydroxy-4-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzoic acid tetrafluoroborate IUPAC Name: 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid tetrafluoroborate Traditional Name: 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid tetrafluoroborate Formula: C15H16BF4NO3 MolecularWeight: 345.097053

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)C2=CC(=C(C=C2)C(=O)O)O)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)C2=CC(=C(C=C2)C(=O)O)O)C

InChI

InChI=1S/C15H15NO3.BF4/c1-9-6-10(2)16(11(3)7-9)12-4-5-13(15(18)19)14(17)8-12;2-1(3,4)5/h4-8H,1-3H3,(H-,17,18,19);/q;-1/p+1