ethyl 6-tert-butyl-1-(5-methylpyridin-2-yl)-4-phenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 6-tert-butyl-1-(5-methylpyridin-2-yl)-4-phenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 6-tert-butyl-1-(5-methyl-2-pyridyl)-4-phenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 6-tert-butyl-1-(5-methyl-2-pyridinyl)-4-phenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 6-tert-butyl-1-(5-methylpyridin-2-yl)-4-phenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 6-tert-butyl-1-(5-methyl-2-pyridyl)-4-phenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C24H27BF4N2O2 MolecularWeight: 462.287993

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=[N+](C(=CC(=C1)C2=CC=CC=C2)C(C)(C)C)C3=NC=C(C=C3)C

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=[N+](C(=CC(=C1)C2=CC=CC=C2)C(C)(C)C)C3=NC=C(C=C3)C

InChI

InChI=1S/C24H27N2O2.BF4/c1-6-28-23(27)20-14-19(18-10-8-7-9-11-18)15-21(24(3,4)5)26(20)22-13-12-17(2)16-25-22;2-1(3,4)5/h7-16H,6H2,1-5H3;/q+1;-1