hexacosan-1-ol; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: hexacosan-1-ol; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: hexacosan-1-ol; (3R)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: 1-hexacosanol; (3R)-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: hexacosan-1-ol; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: hexacosan-1-ol; (3R)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C33H69NO4 MolecularWeight: 543.90526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCO.C[N+](C)(C)CC(CC(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCO.C[N+](C)(C)C[C@@H](CC(=O)[O-])O

InChI

InChI=1S/C26H54O.C7H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27;1-8(2,3)5-6(9)4-7(10)11/h27H,2-26H2,1H3;6,9H,4-5H2,1-3H3/t;6-/m.1/s1