2-azanylethanesulfonate; [(2S)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium; hydrochloride

Systemtic Name: 2-azanylethanesulfonate; [(2S)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium; hydrochloride Openeye Name: 2-aminoethanesulfonate; [(2S)-2,4-dihydroxy-4-oxo-butyl]-trimethyl-ammonium; hydrochloride CAS Name: 2-aminoethanesulfonate; [(2S)-2,4-dihydroxy-4-oxobutyl]-trimethylammonium; hydrochloride IUPAC Name: 2-aminoethanesulfonate; [(2S)-2,4-dihydroxy-4-oxobutyl]-trimethylazanium; hydrochloride Traditional Name: 2-aminoethanesulfonate; [(2S)-2,4-dihydroxy-4-keto-butyl]-trimethyl-ammonium; hydrochloride Formula: C9H23ClN2O6S MolecularWeight: 322.80672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C2H7NO3S.ClH/c1-8(2,3)5-6(9)4-7(10)11;3-1-2-7(4,5)6;/h6,9H,4-5H2,1-3H3;1-3H2,(H,4,5,6);1H/t6-;;/m0../s1