(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 4-(2-hydroxyethyl)benzene-1,2-diol

Systemtic Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 4-(2-hydroxyethyl)benzene-1,2-diol Openeye Name: (3R)-3-acetoxy-4-(trimethylammonio)butanoate; 4-(2-hydroxyethyl)benzene-1,2-diol CAS Name: (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; 4-(2-hydroxyethyl)benzene-1,2-diol IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 4-(2-hydroxyethyl)benzene-1,2-diol Traditional Name: (3R)-3-acetoxy-4-(trimethylammonio)butyrate; 4-(2-hydroxyethyl)pyrocatechol Formula: C17H27NO7 MolecularWeight: 357.39878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.C1=CC(=C(C=C1CCO)O)O

Isomeric SMILES

CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C1=CC(=C(C=C1CCO)O)O

InChI

InChI=1S/C9H17NO4.C8H10O3/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;9-4-3-6-1-2-7(10)8(11)5-6/h8H,5-6H2,1-4H3;1-2,5,9-11H,3-4H2/t8-;/m1./s1