ethyl-dimethyl-(2-methylidenebutanoyloxy)azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-dimethyl-(2-methylidenebutanoyloxy)azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-dimethyl-(2-methylenebutanoyloxy)ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-dimethyl-(2-methylene-1-oxobutoxy)ammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-dimethyl-(2-methylidenebutanoyloxy)azanium; 4-methylbenzenesulfonate Traditional Name: ethyl-(2-ethylacryloyl)oxy-dimethyl-ammonium tosylate Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)O[N+](C)(C)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=C)C(=O)O[N+](C)(C)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H18NO2.C7H8O3S/c1-6-8(3)9(11)12-10(4,5)7-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,6-7H2,1-2,4-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1