3-[(2S)-2-azanylpropanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[(2S)-2-azanylpropanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-[(2S)-2-aminopropanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-[(2S)-2-amino-1-oxopropoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-[(2S)-2-aminopropanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-[(2S)-2-aminopropanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C12H23ClN2O5 MolecularWeight: 310.77442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O5.ClH/c1-7(13)12(18)19-9(6-14(3,4)5)10(8(2)15)11(16)17;/h7,9-10H,6,13H2,1-5H3;1H/t7-,9?,10?;/m0./s1