3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-6-sulfanylidene-heptanoate

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-6-sulfanylidene-heptanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-6-thioxo-heptanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-6-sulfanylideneheptanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxo-6-sulfanylideneheptanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-6-thioxo-enanthate Formula: C12H21NO4S MolecularWeight: 275.36444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4S/c1-8(18)5-6-9(14)11(12(16)17)10(15)7-13(2,3)4/h10-11,15H,5-7H2,1-4H3