ethyl 1-(aminocarbonylamino)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-(aminocarbonylamino)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4,6-diphenyl-1-ureido-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-(carbamoylamino)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-(carbamoylamino)-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 4,6-diphenyl-1-ureido-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C21H20BF4N3O3 MolecularWeight: 449.206413

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1NC(=O)N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1NC(=O)N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3.BF4/c1-2-27-20(25)19-14-17(15-9-5-3-6-10-15)13-18(24(19)23-21(22)26)16-11-7-4-8-12-16;2-1(3,4)5/h3-14H,2H2,1H3,(H2-,22,23,25,26);/q;-1/p+1