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

Systemtic Name: methyl-[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-di(propan-2-yl)azanium bromide Openeye Name: [3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide CAS Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)ammonium bromide IUPAC Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium bromide Traditional Name: [3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide Formula: C23H34BrNO MolecularWeight: 420.42616

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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)C)C2=CC=CC=C2.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO.BrH/c1-17(2)24(6,18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25;/h7-13,16-18,21H,14-15H2,1-6H3;1H