ethyl 4,6-diphenyl-1-(1,2,4-triazin-3-yl)pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 4,6-diphenyl-1-(1,2,4-triazin-3-yl)pyridin-1-ium-2-carboxylate Openeye Name: ethyl 4,6-diphenyl-1-(1,2,4-triazin-3-yl)pyridin-1-ium-2-carboxylate CAS Name: 4,6-diphenyl-1-(1,2,4-triazin-3-yl)-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-diphenyl-1-(1,2,4-triazin-3-yl)pyridin-1-ium-2-carboxylate Traditional Name: 4,6-diphenyl-1-(1,2,4-triazin-3-yl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C23H19N4O2+ MolecularWeight: 383.42256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=CN=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=CN=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N4O2/c1-2-29-22(28)21-16-19(17-9-5-3-6-10-17)15-20(18-11-7-4-8-12-18)27(21)23-24-13-14-25-26-23/h3-16H,2H2,1H3/q+1