4-methyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hexanoate

Systemtic Name: 4-methyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hexanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-4-methyl-3-oxo-hexanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-4-methyl-3-oxohexanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-4-methyl-3-oxohexanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-4-methyl-hexanoate Formula: C12H23NO4 MolecularWeight: 245.31532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4/c1-6-8(2)11(15)10(12(16)17)9(14)7-13(3,4)5/h8-10,14H,6-7H2,1-5H3