2-methylprop-2-enoyl-(2-methylsulfanylethyl)-(1-sulfopropyl)sulfanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-methylprop-2-enoyl-(2-methylsulfanylethyl)-(1-sulfopropyl)sulfanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-methylprop-2-enoyl-(2-methylsulfanylethyl)-(1-sulfopropyl)sulfonium; 2-(trimethylammonio)acetate CAS Name: (2-methyl-1-oxoprop-2-enyl)-[2-(methylthio)ethyl]-(1-sulfopropyl)sulfonium; 2-(trimethylammonio)acetate IUPAC Name: 2-methylprop-2-enoyl-(2-methylsulfanylethyl)-(1-sulfopropyl)sulfanium; 2-(trimethylazaniumyl)acetate Traditional Name: methacryloyl-[2-(methylthio)ethyl]-(1-sulfopropyl)sulfonium; 2-(trimethylammonio)acetate Formula: C15H30NO6S3+ MolecularWeight: 416.5968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O4S3.C5H11NO2/c1-5-9(17(12,13)14)16(7-6-15-4)10(11)8(2)3;1-6(2,3)4-5(7)8/h9H,2,5-7H2,1,3-4H3;4H2,1-3H3/p+1