4-methyl-2-[(1R)-3-[methyl-di(propan-2-yl)azaniumyl]-1-(5-methyl-2-oxidanyl-phenyl)propyl]phenolate

Systemtic Name: 4-methyl-2-[(1R)-3-[methyl-di(propan-2-yl)azaniumyl]-1-(5-methyl-2-oxidanyl-phenyl)propyl]phenolate Openeye Name: 2-[(1R)-3-[diisopropyl(methyl)ammonio]-1-(2-hydroxy-5-methyl-phenyl)propyl]-4-methyl-phenolate CAS Name: 2-[(1R)-1-(2-hydroxy-5-methylphenyl)-3-[methyl-di(propan-2-yl)ammonio]propyl]-4-methylphenolate IUPAC Name: 2-[(1R)-1-(2-hydroxy-5-methylphenyl)-3-[methyl-di(propan-2-yl)azaniumyl]propyl]-4-methylphenolate Traditional Name: 2-[(1R)-3-[diisopropyl(methyl)ammonio]-1-(2-hydroxy-5-methyl-phenyl)propyl]-4-methyl-phenolate Formula: C24H35NO2 MolecularWeight: 369.5402

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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=C(C=CC(=C2)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO2/c1-16(2)25(7,17(3)4)13-12-20(21-14-18(5)8-10-23(21)26)22-15-19(6)9-11-24(22)27/h8-11,14-17,20H,12-13H2,1-7H3,(H-,26,27)