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

Systemtic Name: calcium; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate; 2-propylpentanoate Openeye Name: calcium; (3R)-3-hydroxy-4-(trimethylammonio)butanoate; 2-propylpentanoate CAS Name: calcium; (3R)-3-hydroxy-4-(trimethylammonio)butanoate; 2-propylpentanoate IUPAC Name: calcium; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate; 2-propylpentanoate Traditional Name: calcium; (3R)-3-hydroxy-4-(trimethylammonio)butyrate; 2-propylvalerate Formula: C23H45CaNO7 MolecularWeight: 487.6839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H16O2.C7H15NO3.Ca/c2*1-3-5-7(6-4-2)8(9)10;1-8(2,3)5-6(9)4-7(10)11;/h2*7H,3-6H2,1-2H3,(H,9,10);6,9H,4-5H2,1-3H3;/q;;;+2/p-2/t;;6-;/m..1./s1