2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-3-sulfanylidene-hexanoate

Systemtic Name: 2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-3-sulfanylidene-hexanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-thioxo-hexanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-sulfanylidenehexanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-sulfanylidenehexanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-thioxo-hexanoate Formula: C11H21NO3S MolecularWeight: 247.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=S)C(C(C[N+](C)(C)C)O)C(=O)[O-]

Isomeric SMILES

CCCC(=S)C(C(C[N+](C)(C)C)O)C(=O)[O-]

InChI

InChI=1S/C11H21NO3S/c1-5-6-9(16)10(11(14)15)8(13)7-12(2,3)4/h8,10,13H,5-7H2,1-4H3