phenyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate tetrafluoroborate

Systemtic Name: phenyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate tetrafluoroborate Openeye Name: phenyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate tetrafluoroborate CAS Name: 4-(dimethylamino)-1-pyridin-1-iumcarboxylic acid phenyl ester tetrafluoroborate IUPAC Name: phenyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate tetrafluoroborate Traditional Name: 4-(dimethylamino)pyridin-1-ium-1-carboxylic acid phenyl ester tetrafluoroborate Formula: C14H15BF4N2O2 MolecularWeight: 330.085713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN(C)C1=CC=[N+](C=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CN(C)C1=CC=[N+](C=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H15N2O2.BF4/c1-15(2)12-8-10-16(11-9-12)14(17)18-13-6-4-3-5-7-13;2-1(3,4)5/h3-11H,1-2H3;/q+1;-1