methyl 2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(3R)-3-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:

CC1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H21N3O3/c1-11-4-3-7-20(9-11)10-15-18-14-8-12(17(22)23-2)5-6-13(14)16(21)19-15/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,18,19,21)/p+1/t11-/m1/s1