6,8-bis(bromanyl)-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C16H17Br2N3O3 MolecularWeight: 459.13248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

InChI

InChI=1S/C16H17Br2N3O3/c1-24-16(23)9-2-4-21(5-3-9)8-13-19-14-11(15(22)20-13)6-10(17)7-12(14)18/h6-7,9H,2-5,8H2,1H3,(H,19,20,22)