(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium chloride

Systemtic Name: (5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium chloride Openeye Name: (5-bromo-2-hydroxy-3-methoxy-phenyl)methyl-(2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium chloride CAS Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(1-hydroxy-1-phenylpropan-2-yl)ammonium chloride IUPAC Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride Traditional Name: (5-bromo-2-hydroxy-3-methoxy-benzyl)-(2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium chloride Formula: C17H21BrClNO3 MolecularWeight: 402.71054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC(=CC(=C2O)OC)Br.[Cl-]

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC(=CC(=C2O)OC)Br.[Cl-]

InChI

InChI=1S/C17H20BrNO3.ClH/c1-11(16(20)12-6-4-3-5-7-12)19-10-13-8-14(18)9-15(22-2)17(13)21;/h3-9,11,16,19-21H,10H2,1-2H3;1H