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

Systemtic Name: methyl 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H19ClN3O3+ MolecularWeight: 336.79336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c1-23-16(22)10-4-6-20(7-5-10)9-14-18-13-8-11(17)2-3-12(13)15(21)19-14/h2-3,8,10H,4-7,9H2,1H3,(H,18,19,21)/p+1