5-methyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hex-4-enoate

Systemtic Name: 5-methyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hex-4-enoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-5-methyl-3-oxo-hex-4-enoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-5-methyl-3-oxo-4-hexenoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxohex-4-enoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-5-methyl-hex-4-enoate Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4/c1-8(2)6-9(14)11(12(16)17)10(15)7-13(3,4)5/h6,10-11,15H,7H2,1-5H3