3,3-bis(oxidanyl)-2-(trimethylazaniumyl)docosanoate

Systemtic Name: 3,3-bis(oxidanyl)-2-(trimethylazaniumyl)docosanoate Openeye Name: 3,3-dihydroxy-2-(trimethylammonio)docosanoate CAS Name: 3,3-dihydroxy-2-(trimethylammonio)docosanoate IUPAC Name: 3,3-dihydroxy-2-(trimethylazaniumyl)docosanoate Traditional Name: 3,3-dihydroxy-2-(trimethylammonio)behenate Formula: C25H51NO4 MolecularWeight: 429.67674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(C(=O)[O-])[N+](C)(C)C)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C(C(=O)[O-])[N+](C)(C)C)(O)O

InChI

InChI=1S/C25H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(29,30)23(24(27)28)26(2,3)4/h23,29-30H,5-22H2,1-4H3