3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]octanoate

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]octanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-octanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxooctanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxooctanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-caprylate Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO4/c1-5-6-7-8-10(15)12(13(17)18)11(16)9-14(2,3)4/h11-12,16H,5-9H2,1-4H3