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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-2-24-17(23)11-5-7-21(8-6-11)10-15-19-14-9-12(18)3-4-13(14)16(22)20-15/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,20,22)/p+1