ethyl (3S)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-keto-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)12-6-5-9-20(10-12)11-15-18-14-8-4-3-7-13(14)16(21)19-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,19,21)/p+1/t12-/m0/s1