2-[[[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-propyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[[[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-propyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-propyl-ammonio]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-propylammonio]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-propylazaniumyl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-propyl-ammonio]methyl]-7-chloro-quinazolin-4-olate Formula: C21H23BrClN3O3 MolecularWeight: 480.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])C[C@@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H23BrClN3O3/c1-2-9-26(11-16(27)13-29-17-6-3-14(22)4-7-17)12-20-24-19-10-15(23)5-8-18(19)21(28)25-20/h3-8,10,16,27H,2,9,11-13H2,1H3,(H,24,25,28)/t16-/m0/s1