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

Systemtic Name: methyl (2R)-1-[(4-azanyl-7-chloranyl-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[(4-amino-7-chloro-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-amino-7-chloro-2-quinazolinyl)methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(4-amino-7-chloro-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C16H20ClN4O2+ MolecularWeight: 335.8086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N

Isomeric SMILES

COC(=O)[C@H]1CCCC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N

InChI

InChI=1S/C16H19ClN4O2/c1-23-16(22)13-4-2-3-7-21(13)9-14-19-12-8-10(17)5-6-11(12)15(18)20-14/h5-6,8,13H,2-4,7,9H2,1H3,(H2,18,19,20)/p+1/t13-/m1/s1