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

Systemtic Name: methyl 2-[(2-methylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-methylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(2-methyl-1-pyridin-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-methylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=[N+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H15N3O3/c1-11-5-3-4-8-20(11)10-15-18-14-9-12(17(22)23-2)6-7-13(14)16(21)19-15/h3-9H,10H2,1-2H3/p+1