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

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C17H19Br2N3O3 MolecularWeight: 473.15906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Br2N3O3/c1-2-25-17(24)10-3-5-22(6-4-10)9-14-20-15-12(16(23)21-14)7-11(18)8-13(15)19/h7-8,10H,2-6,9H2,1H3,(H,20,21,23)