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

Systemtic Name: methyl 4-oxidanylidene-2-[(4-propylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(4-propylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(4-propyl-1-pyridin-1-iumyl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-propylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-propylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O3/c1-3-4-13-7-9-22(10-8-13)12-17-20-16-11-14(19(24)25-2)5-6-15(16)18(23)21-17/h5-11H,3-4,12H2,1-2H3/p+1