calcium; butanedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: calcium; butanedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: calcium; butanedioate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: calcium; butanedioate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: calcium; butanedioate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: calcium; 3-hydroxy-4-(trimethylammonio)butyrate; succinate Formula: C11H19CaNO7 MolecularWeight: 317.34906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C4H6O4.Ca/c1-8(2,3)5-6(9)4-7(10)11;5-3(6)1-2-4(7)8;/h6,9H,4-5H2,1-3H3;1-2H2,(H,5,6)(H,7,8);/q;;+2/p-2