ethyl 1-[3-(6-tert-butyl-1-oxidanyl-pyridin-1-ium-3-yl)phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylate

Systemtic Name: ethyl 1-[3-(6-tert-butyl-1-oxidanyl-pyridin-1-ium-3-yl)phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylate Openeye Name: ethyl 1-[3-(6-tert-butyl-1-hydroxy-pyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylate CAS Name: 1-[3-(6-tert-butyl-1-hydroxy-3-pyridin-1-iumyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(6-tert-butyl-1-hydroxypyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylate Traditional Name: 1-[3-(6-tert-butyl-1-hydroxy-pyridin-1-ium-3-yl)phenyl]-4-keto-1,8-naphthyridine-3-carboxylic acid ethyl ester Formula: C26H26N3O4+ MolecularWeight: 444.50234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N3O4/c1-5-33-25(31)21-16-28(24-20(23(21)30)10-7-13-27-24)19-9-6-8-17(14-19)18-11-12-22(26(2,3)4)29(32)15-18/h6-16,32H,5H2,1-4H3/q+1