(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2-azanylethanesulfonic acid; hydrochloride

Systemtic Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2-azanylethanesulfonic acid; hydrochloride Openeye Name: (3R)-3-acetoxy-4-(trimethylammonio)butanoate; 2-aminoethanesulfonic acid; hydrochloride CAS Name: (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; 2-aminoethanesulfonic acid; hydrochloride IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2-aminoethanesulfonic acid; hydrochloride Traditional Name: (3R)-3-acetoxy-4-(trimethylammonio)butyrate; 2-aminoethanesulfonic acid; hydrochloride Formula: C11H25ClN2O7S MolecularWeight: 364.8434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4.C2H7NO3S.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;3-1-2-7(4,5)6;/h8H,5-6H2,1-4H3;1-3H2,(H,4,5,6);1H/t8-;;/m1../s1