tert-butyl-dimethyl-[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]azanium bromide

Systemtic Name: tert-butyl-dimethyl-[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]azanium bromide Openeye Name: tert-butyl-[3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-dimethyl-ammonium bromide CAS Name: tert-butyl-[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-dimethylammonium bromide IUPAC Name: tert-butyl-[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-dimethylazanium bromide Traditional Name: tert-butyl-[3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-dimethyl-ammonium bromide Formula: C22H32BrNO MolecularWeight: 406.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+](C)(C)C(C)(C)C)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+](C)(C)C(C)(C)C)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C22H31NO.BrH/c1-17-12-13-21(24)20(16-17)19(18-10-8-7-9-11-18)14-15-23(5,6)22(2,3)4;/h7-13,16,19H,14-15H2,1-6H3;1H