calcium; (3R)-3-oxidanidyl-4-(trimethylazaniumyl)butanoate; 2-propylpentanoate

Systemtic Name: calcium; (3R)-3-oxidanidyl-4-(trimethylazaniumyl)butanoate; 2-propylpentanoate Openeye Name: calcium; (3R)-3-oxido-4-(trimethylammonio)butanoate; 2-propylpentanoate CAS Name: calcium; (3R)-3-oxido-4-(trimethylammonio)butanoate; 2-propylpentanoate IUPAC Name: calcium; (3R)-3-oxido-4-(trimethylazaniumyl)butanoate; 2-propylpentanoate Traditional Name: calcium; (3R)-3-oxido-4-(trimethylammonio)butyrate; 2-propylvalerate Formula: C15H29CaNO5 MolecularWeight: 343.47246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C7H15NO3.Ca/c1-3-5-7(6-4-2)8(9)10;1-8(2,3)5-6(9)4-7(10)11;/h7H,3-6H2,1-2H3,(H,9,10);6H,4-5H2,1-3H3,(H,10,11);/q;;+2/p-2/t;6-;/m.1./s1