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

Systemtic Name: methyl 2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H21N3O3/c1-11-5-3-4-8-20(11)10-15-18-14-9-12(17(22)23-2)6-7-13(14)16(21)19-15/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,21)/p+1/t11-/m1/s1