6,8-bis(bromanyl)-2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 6,8-bis(bromanyl)-2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[[(3S)-3-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)C1CCC[NH+](C1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

InChI

InChI=1S/C17H19Br2N3O3/c1-2-25-17(24)10-4-3-5-22(8-10)9-14-20-15-12(16(23)21-14)6-11(18)7-13(15)19/h6-7,10H,2-5,8-9H2,1H3,(H,20,21,23)/t10-/m0/s1