[3,5-dimethyl-3-(2-methylpropanoyloxy)-2-methylsulfanyl-2H-imidazol-3-ium-1-yl] 2-methylpropanoate

Systemtic Name: [3,5-dimethyl-3-(2-methylpropanoyloxy)-2-methylsulfanyl-2H-imidazol-3-ium-1-yl] 2-methylpropanoate Openeye Name: [3,5-dimethyl-3-(2-methylpropanoyloxy)-2-methylsulfanyl-2H-imidazol-3-ium-1-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3,5-dimethyl-3-(2-methyl-1-oxopropoxy)-2-(methylthio)-2H-imidazol-3-ium-1-yl] ester IUPAC Name: [3,5-dimethyl-3-(2-methylpropanoyloxy)-2-methylsulfanyl-2H-imidazol-3-ium-1-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-isobutyryloxy-3,5-dimethyl-2-(methylthio)-4-imidazolin-3-ium-1-yl] ester Formula: C14H25N2O4S+ MolecularWeight: 317.4243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C(N1OC(=O)C(C)C)SC)(C)OC(=O)C(C)C

Isomeric SMILES

CC1=C[N+](C(N1OC(=O)C(C)C)SC)(C)OC(=O)C(C)C

InChI

InChI=1S/C14H25N2O4S/c1-9(2)12(17)19-15-11(5)8-16(6,14(15)21-7)20-13(18)10(3)4/h8-10,14H,1-7H3/q+1