(E)-20-oxidanyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]icos-14-enoate

Systemtic Name: (E)-20-oxidanyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]icos-14-enoate Openeye Name: (E)-20-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-icos-14-enoate CAS Name: (E)-20-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-14-eicosenoate IUPAC Name: (E)-20-hydroxy-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxoicos-14-enoate Traditional Name: (E)-20-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-eicos-14-enoate Formula: C25H47NO5 MolecularWeight: 441.64438

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)CCCCCCCCCCC=CCCCCCO)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO5/c1-26(2,3)21-23(29)24(25(30)31)22(28)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-27/h8,10,23-24,27,29H,4-7,9,11-21H2,1-3H3/b10-8+