ethyl 1-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-oxo-3-phenyl-quinazolin-2-yl)methyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[(4-oxo-3-phenyl-2-quinazolinyl)methyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-oxo-3-phenylquinazolin-2-yl)methyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-3-phenyl-quinazolin-2-yl)methyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C23H20N3O3+ MolecularWeight: 386.4232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C23H20N3O3/c1-2-29-23(28)17-12-14-25(15-13-17)16-21-24-20-11-7-6-10-19(20)22(27)26(21)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3/q+1