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

Systemtic Name: methyl 4-oxidanylidene-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(3-phenyl-1-pyridin-1-iumyl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H18N3O3+ MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3/c1-28-22(27)16-9-10-18-19(12-16)23-20(24-21(18)26)14-25-11-5-8-17(13-25)15-6-3-2-4-7-15/h2-13H,14H2,1H3/p+1