6,8-bis(bromanyl)-2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 6,8-bis(bromanyl)-2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C16H19Br2N3O MolecularWeight: 429.14956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19Br2N3O/c1-9-3-10(2)7-21(6-9)8-14-19-15-12(16(22)20-14)4-11(17)5-13(15)18/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,20,22)/t9-,10-/m0/s1