ethyl-dimethyl-[(E)-2-methyl-6-sulfo-hex-2-enoyl]oxy-azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: ethyl-dimethyl-[(E)-2-methyl-6-sulfo-hex-2-enoyl]oxy-azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: ethyl-dimethyl-[(E)-2-methyl-6-sulfo-hex-2-enoyl]oxy-ammonium; 2-(trimethylammonio)acetate CAS Name: ethyl-dimethyl-[(E)-2-methyl-1-oxo-6-sulfohex-2-enoxy]ammonium; 2-(trimethylammonio)acetate IUPAC Name: ethyl-dimethyl-[(E)-2-methyl-6-sulfohex-2-enoyl]oxyazanium; 2-(trimethylazaniumyl)acetate Traditional Name: ethyl-dimethyl-[(E)-2-methyl-6-sulfo-hex-2-enoyl]oxy-ammonium; 2-(trimethylammonio)acetate Formula: C16H33N2O7S+ MolecularWeight: 397.50742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO5S.C5H11NO2/c1-5-12(3,4)17-11(13)10(2)8-6-7-9-18(14,15)16;1-6(2,3)4-5(7)8/h8H,5-7,9H2,1-4H3;4H2,1-3H3/p+1/b10-8+;