2-[[3-cyclohexyl-3-(5-methyl-2-oxidanyl-phenyl)propyl]-di(propan-2-yl)azaniumyl]ethanoate

Systemtic Name: 2-[[3-cyclohexyl-3-(5-methyl-2-oxidanyl-phenyl)propyl]-di(propan-2-yl)azaniumyl]ethanoate Openeye Name: 2-[[3-cyclohexyl-3-(2-hydroxy-5-methyl-phenyl)propyl]-diisopropyl-ammonio]acetate CAS Name: 2-[[3-cyclohexyl-3-(2-hydroxy-5-methylphenyl)propyl]-di(propan-2-yl)ammonio]acetate IUPAC Name: 2-[[3-cyclohexyl-3-(2-hydroxy-5-methylphenyl)propyl]-di(propan-2-yl)azaniumyl]acetate Traditional Name: 2-[[3-cyclohexyl-3-(2-hydroxy-5-methyl-phenyl)propyl]-diisopropyl-ammonio]acetate Formula: C24H39NO3 MolecularWeight: 389.57136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+](CC(=O)[O-])(C(C)C)C(C)C)C2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+](CC(=O)[O-])(C(C)C)C(C)C)C2CCCCC2

InChI

InChI=1S/C24H39NO3/c1-17(2)25(18(3)4,16-24(27)28)14-13-21(20-9-7-6-8-10-20)22-15-19(5)11-12-23(22)26/h11-12,15,17-18,20-21H,6-10,13-14,16H2,1-5H3,(H-,26,27,28)