7-chloranyl-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 2-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-7-chloro-quinazolin-4-olate Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-]

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-]

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)