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

Systemtic Name: methyl 2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(dimethylamino)-1-pyridin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-21(2)13-6-8-22(9-7-13)11-16-19-15-10-12(18(24)25-3)4-5-14(15)17(23)20-16/h4-10H,11H2,1-3H3/p+1