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

Systemtic Name: 3-[(2S)-2-azanyl-3-oxidanyl-propanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-[(2S)-2-amino-3-hydroxy-propanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-[(2S)-2-amino-3-hydroxy-1-oxopropoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-[(2S)-2-amino-3-hydroxypropanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-[(2S)-2-amino-3-hydroxy-propanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C12H23ClN2O6 MolecularWeight: 326.77382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O6.ClH/c1-7(16)10(11(17)18)9(5-14(2,3)4)20-12(19)8(13)6-15;/h8-10,15H,5-6,13H2,1-4H3;1H/t8-,9?,10?;/m0./s1