ethyl 1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O5+ MolecularWeight: 376.42684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C19H25N3O5/c1-4-27-19(24)12-5-7-22(8-6-12)11-17-20-14-10-16(26-3)15(25-2)9-13(14)18(23)21-17/h9-10,12H,4-8,11H2,1-3H3,(H,20,21,23)/p+1