methyl 2-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(3-acetyl-1-pyridin-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N3O4+ MolecularWeight: 338.33734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H15N3O4/c1-11(22)13-4-3-7-21(9-13)10-16-19-15-8-12(18(24)25-2)5-6-14(15)17(23)20-16/h3-9H,10H2,1-2H3/p+1