calcium; butanoate; 3-oxidanidyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: calcium; butanoate; 3-oxidanidyl-4-(trimethylazaniumyl)butanoate Openeye Name: calcium; butanoate; 3-oxido-4-(trimethylammonio)butanoate CAS Name: calcium; butanoate; 3-oxido-4-(trimethylammonio)butanoate IUPAC Name: calcium; butanoate; 3-oxido-4-(trimethylazaniumyl)butanoate Traditional Name: calcium; butyrate; 3-oxido-4-(trimethylammonio)butyrate Formula: C11H21CaNO5 MolecularWeight: 287.36614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C4H8O2.Ca/c1-8(2,3)5-6(9)4-7(10)11;1-2-3-4(5)6;/h6H,4-5H2,1-3H3,(H,10,11);2-3H2,1H3,(H,5,6);/q;;+2/p-2