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

Systemtic Name: ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate Openeye Name: ethyl 4,6-diphenyl-1-(3-pyridylmethyl)pyridin-1-ium-2-carboxylate CAS Name: 4,6-diphenyl-1-(3-pyridinylmethyl)-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate Traditional Name: 4,6-diphenyl-1-(3-pyridylmethyl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C26H23N2O2+ MolecularWeight: 395.47302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CN=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CN=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N2O2/c1-2-30-26(29)25-17-23(21-11-5-3-6-12-21)16-24(22-13-7-4-8-14-22)28(25)19-20-10-9-15-27-18-20/h3-18H,2,19H2,1H3/q+1