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

Systemtic Name: ethyl (3S)-1-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H23N3O3/c1-3-24-18(23)13-7-6-10-21(11-13)12(2)16-19-15-9-5-4-8-14(15)17(22)20-16/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,19,20,22)/p+1/t12-,13-/m0/s1