[3-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium bromide

Systemtic Name: [3-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium bromide Openeye Name: [3-(5-chloro-2-hydroxy-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide CAS Name: [3-(5-chloro-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)ammonium bromide IUPAC Name: [3-(5-chloro-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium bromide Traditional Name: [3-(5-chloro-2-hydroxy-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide Formula: C22H31BrClNO MolecularWeight: 440.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)O)C(C)C.[Br-]

Isomeric SMILES

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)O)C(C)C.[Br-]

InChI

InChI=1S/C22H30ClNO.BrH/c1-16(2)24(5,17(3)4)14-13-20(18-9-7-6-8-10-18)21-15-19(23)11-12-22(21)25;/h6-12,15-17,20H,13-14H2,1-5H3;1H