calcium 3-[ethanoyl(methyl)amino]propane-1-sulfonate

Systemtic Name: calcium 3-[ethanoyl(methyl)amino]propane-1-sulfonate Openeye Name: calcium 3-[acetyl(methyl)amino]propane-1-sulfonate CAS Name: calcium 3-[acetyl(methyl)amino]-1-propanesulfonate IUPAC Name: calcium 3-[acetyl(methyl)amino]propane-1-sulfonate Traditional Name: calcium 3-[acetyl(methyl)amino]propane-1-sulfonate Formula: C6H12CaNO4S+ MolecularWeight: 234.30678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)CCCS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(=O)N(C)CCCS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C6H13NO4S.Ca/c1-6(8)7(2)4-3-5-12(9,10)11;/h3-5H2,1-2H3,(H,9,10,11);/q;+2/p-1