(E)-2-[2,2-bis(oxidanyl)ethyl]-2-(trimethylazaniumyl)icos-11-enoate

Systemtic Name: (E)-2-[2,2-bis(oxidanyl)ethyl]-2-(trimethylazaniumyl)icos-11-enoate Openeye Name: (E)-2-(2,2-dihydroxyethyl)-2-(trimethylammonio)icos-11-enoate CAS Name: (E)-2-(2,2-dihydroxyethyl)-2-(trimethylammonio)-11-eicosenoate IUPAC Name: (E)-2-(2,2-dihydroxyethyl)-2-(trimethylazaniumyl)icos-11-enoate Traditional Name: (E)-2-(2,2-dihydroxyethyl)-2-(trimethylammonio)eicos-11-enoate Formula: C25H49NO4 MolecularWeight: 427.66086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CC(O)O)(C(=O)[O-])[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CC(O)O)(C(=O)[O-])[N+](C)(C)C

InChI

InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(24(29)30,22-23(27)28)26(2,3)4/h12-13,23,27-28H,5-11,14-22H2,1-4H3/b13-12+