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

Systemtic Name: ethyl 1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H23N3O3/c1-3-24-18(23)13-8-10-21(11-9-13)12(2)16-19-15-7-5-4-6-14(15)17(22)20-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,22)/p+1/t12-/m1/s1