methanesulfonate; trimethyl-[(2S)-4-(2-methylpropoxy)-2-methylsulfonyloxy-4-oxidanylidene-butyl]azanium

Systemtic Name: methanesulfonate; trimethyl-[(2S)-4-(2-methylpropoxy)-2-methylsulfonyloxy-4-oxidanylidene-butyl]azanium Openeye Name: [(2S)-4-isobutoxy-2-methylsulfonyloxy-4-oxo-butyl]-trimethyl-ammonium; methanesulfonate CAS Name: methanesulfonate; trimethyl-[(2S)-4-(2-methylpropoxy)-2-methylsulfonyloxy-4-oxobutyl]ammonium IUPAC Name: methanesulfonate; trimethyl-[(2S)-4-(2-methylpropoxy)-2-methylsulfonyloxy-4-oxobutyl]azanium Traditional Name: [(2S)-4-isobutoxy-4-keto-2-methylsulfonyloxy-butyl]-trimethyl-ammonium mesylate Formula: C13H29NO8S2 MolecularWeight: 391.50126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26NO5S.CH4O3S/c1-10(2)9-17-12(14)7-11(8-13(3,4)5)18-19(6,15)16;1-5(2,3)4/h10-11H,7-9H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/t11-;/m0./s1