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

Systemtic Name: 1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 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-iumcarboxylate IUPAC Name: 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-carboxylate Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)C(=O)[O-])OC

InChI

InChI=1S/C17H21N3O5/c1-24-13-7-11-12(8-14(13)25-2)18-15(19-16(11)21)9-20-5-3-10(4-6-20)17(22)23/h7-8,10H,3-6,9H2,1-2H3,(H,22,23)(H,18,19,21)