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

Systemtic Name: 6,8-bis(bromanyl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C15H17Br2N3O MolecularWeight: 415.12298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H17Br2N3O/c1-9-3-2-4-20(7-9)8-13-18-14-11(15(21)19-13)5-10(16)6-12(14)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,19,21)/t9-/m0/s1