methyl 3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 2,4-diketo-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O)[NH+]4CCCCC4

InChI

InChI=1S/C24H27N3O5/c1-31-18-9-6-16(7-10-18)21(26-12-4-3-5-13-26)15-27-22(28)19-11-8-17(23(29)32-2)14-20(19)25-24(27)30/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,25,30)/p+1/t21-/m0/s1