2-[1-(2-azanylethylsulfonyloxy)-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-pentanoate

Systemtic Name: 2-[1-(2-azanylethylsulfonyloxy)-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-pentanoate Openeye Name: 2-[1-(2-aminoethylsulfonyloxy)-2-(trimethylammonio)ethyl]-3-oxo-pentanoate CAS Name: 2-[1-(2-aminoethylsulfonyloxy)-2-(trimethylammonio)ethyl]-3-oxopentanoate IUPAC Name: 2-[1-(2-aminoethylsulfonyloxy)-2-(trimethylazaniumyl)ethyl]-3-oxopentanoate Traditional Name: 3-keto-2-[1-tauryloxy-2-(trimethylammonio)ethyl]valerate Formula: C12H24N2O6S MolecularWeight: 324.39376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O6S/c1-5-9(15)11(12(16)17)10(8-14(2,3)4)20-21(18,19)7-6-13/h10-11H,5-8,13H2,1-4H3