3-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-[(2S,3R)-2-amino-3-hydroxy-butanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-[(2S,3R)-2-amino-3-hydroxy-1-oxobutoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-[(2S,3R)-2-amino-3-hydroxy-butanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C13H25ClN2O6 MolecularWeight: 340.8004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O6.ClH/c1-7(16)10(12(18)19)9(6-15(3,4)5)21-13(20)11(14)8(2)17;/h8-11,17H,6,14H2,1-5H3;1H/t8-,9?,10?,11+;/m1./s1