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

Systemtic Name: methyl 1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H24N3O5+ MolecularWeight: 362.40026

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-24-14-8-12-13(9-15(14)25-2)19-16(20-17(12)22)10-21-6-4-11(5-7-21)18(23)26-3/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,22)/p+1