ethyl 4,6-diphenyl-1-[(E)-1-pyridin-4-ylethylideneamino]pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 4,6-diphenyl-1-[(E)-1-pyridin-4-ylethylideneamino]pyridin-1-ium-2-carboxylate Openeye Name: ethyl 4,6-diphenyl-1-[(E)-1-(4-pyridyl)ethylideneamino]pyridin-1-ium-2-carboxylate CAS Name: 4,6-diphenyl-1-[(E)-1-pyridin-4-ylethylideneamino]-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-diphenyl-1-[(E)-1-pyridin-4-ylethylideneamino]pyridin-1-ium-2-carboxylate Traditional Name: 4,6-diphenyl-1-[(E)-1-(4-pyridyl)ethylideneamino]pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C27H24N3O2+ MolecularWeight: 422.49836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1/N=C(\C)/C2=CC=NC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N3O2/c1-3-32-27(31)26-19-24(22-10-6-4-7-11-22)18-25(23-12-8-5-9-13-23)30(26)29-20(2)21-14-16-28-17-15-21/h4-19H,3H2,1-2H3/q+1/b29-20+