[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-phenyl-(phenylmethyl)azanium chloride

Systemtic Name: [3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-phenyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-(4-bromophenoxy)-2-hydroxy-propyl]-phenyl-ammonium chloride CAS Name: [3-(4-bromophenoxy)-2-hydroxypropyl]-phenyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-(4-bromophenoxy)-2-hydroxypropyl]-phenylazanium chloride Traditional Name: benzyl-[3-(4-bromophenoxy)-2-hydroxy-propyl]-phenyl-ammonium chloride Formula: C22H23BrClNO2 MolecularWeight: 448.78052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC(COC2=CC=C(C=C2)Br)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC(COC2=CC=C(C=C2)Br)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H22BrNO2.ClH/c23-19-11-13-22(14-12-19)26-17-21(25)16-24(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18;/h1-14,21,25H,15-17H2;1H