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

Systemtic Name: 6,8-bis(bromanyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C17H15Br2N3OS MolecularWeight: 469.1935

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br)C4=CC=CS4

InChI

InChI=1S/C17H15Br2N3OS/c18-10-7-11-16(12(19)8-10)20-15(21-17(11)23)9-22-5-1-3-13(22)14-4-2-6-24-14/h2,4,6-8,13H,1,3,5,9H2,(H,20,21,23)/t13-/m0/s1