methyl 1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H21N3O3/c1-11(20-9-7-12(8-10-20)17(22)23-2)15-18-14-6-4-3-5-13(14)16(21)19-15/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,21)/p+1/t11-/m1/s1