(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-acetoxy-4-(trimethylammonio)butanoate; (3R)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; (3R)-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-acetoxy-4-(trimethylammonio)butyrate; (3R)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C16H32N2O7 MolecularWeight: 364.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4.C7H15NO3/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;1-8(2,3)5-6(9)4-7(10)11/h8H,5-6H2,1-4H3;6,9H,4-5H2,1-3H3/t8-;6-/m11/s1