[2-methyl-6-(5-methyl-2-oxidanyl-phenyl)-6-phenyl-3-propan-2-yl-hexan-3-yl]azanium bromide

Systemtic Name: [2-methyl-6-(5-methyl-2-oxidanyl-phenyl)-6-phenyl-3-propan-2-yl-hexan-3-yl]azanium bromide Openeye Name: [4-(2-hydroxy-5-methyl-phenyl)-1,1-diisopropyl-4-phenyl-butyl]ammonium bromide CAS Name: [6-(2-hydroxy-5-methylphenyl)-2-methyl-6-phenyl-3-propan-2-ylhexan-3-yl]ammonium bromide IUPAC Name: [6-(2-hydroxy-5-methylphenyl)-2-methyl-6-phenyl-3-propan-2-ylhexan-3-yl]azanium bromide Traditional Name: [4-(2-hydroxy-5-methyl-phenyl)-1,1-diisopropyl-4-phenyl-butyl]ammonium bromide Formula: C23H34BrNO MolecularWeight: 420.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CCC(C(C)C)(C(C)C)[NH3+])C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CCC(C(C)C)(C(C)C)[NH3+])C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C23H33NO.BrH/c1-16(2)23(24,17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)25;/h6-12,15-17,20,25H,13-14,24H2,1-5H3;1H