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

Systemtic Name: methyl-[(3R)-3-(3-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-di(propan-2-yl)azanium bromide Openeye Name: [(3R)-3-(2-hydroxy-3-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide CAS Name: [(3R)-3-(2-hydroxy-3-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)ammonium bromide IUPAC Name: [(3R)-3-(2-hydroxy-3-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium bromide Traditional Name: [(3R)-3-(2-hydroxy-3-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=C(C(=CC=C1)C(CC[N+](C)(C(C)C)C(C)C)C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO.BrH/c1-17(2)24(6,18(3)4)16-15-21(20-12-8-7-9-13-20)22-14-10-11-19(5)23(22)25;/h7-14,17-18,21H,15-16H2,1-6H3;1H/t21-;/m1./s1