2,6-bis(4-methoxyphenyl)-1-(phenylmethyl)pyridin-1-ium-4-carboxylic acid tetrafluoroborate

Systemtic Name: 2,6-bis(4-methoxyphenyl)-1-(phenylmethyl)pyridin-1-ium-4-carboxylic acid tetrafluoroborate Openeye Name: 1-benzyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylic acid tetrafluoroborate CAS Name: 2,6-bis(4-methoxyphenyl)-1-(phenylmethyl)-4-pyridin-1-iumcarboxylic acid tetrafluoroborate IUPAC Name: 1-benzyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylic acid tetrafluoroborate Traditional Name: 1-benzyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylic acid tetrafluoroborate Formula: C27H24BF4NO4 MolecularWeight: 513.288373

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC1=CC=C(C=C1)C2=CC(=CC(=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.COC1=CC=C(C=C1)C2=CC(=CC(=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H23NO4.BF4/c1-31-23-12-8-20(9-13-23)25-16-22(27(29)30)17-26(21-10-14-24(32-2)15-11-21)28(25)18-19-6-4-3-5-7-19;2-1(3,4)5/h3-17H,18H2,1-2H3;/q;-1/p+1