(3S)-3-oxidanyl-4-(trimethylazaniumyl)butanoate; 2-propylpentanoic acid; sodium

Systemtic Name: (3S)-3-oxidanyl-4-(trimethylazaniumyl)butanoate; 2-propylpentanoic acid; sodium Openeye Name: (3S)-3-hydroxy-4-(trimethylammonio)butanoate; 2-propylpentanoic acid; sodium CAS Name: (3S)-3-hydroxy-4-(trimethylammonio)butanoate; 2-propylpentanoic acid; sodium IUPAC Name: (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate; 2-propylpentanoic acid; sodium Traditional Name: (3S)-3-hydroxy-4-(trimethylammonio)butyrate; 2-propylvaleric acid; sodium Formula: C15H31NNaO5 MolecularWeight: 328.40011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C7H15NO3.Na/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);6,9H,4-5H2,1-3H3;/t;6-;/m.0./s1