ethyl (3R)-1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-2-24-17(23)11-4-3-7-21(9-11)10-15-19-14-8-12(18)5-6-13(14)16(22)20-15/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,20,22)/p+1/t11-/m1/s1