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

Systemtic Name: methyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H21N3O5/c1-25-17(23)11-5-7-21(8-6-11)10-15-19-14-9-12(18(24)26-2)3-4-13(14)16(22)20-15/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,20,22)/p+1