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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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