(1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate; 4-methylbenzenesulfonate

Systemtic Name: (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate; 4-methylbenzenesulfonate Openeye Name: (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate; 4-methylbenzenesulfonate CAS Name: N,N-dimethylcarbamic acid (1,3-dimethyl-2-imidazol-1-iumyl)methyl ester; 4-methylbenzenesulfonate IUPAC Name: (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate; 4-methylbenzenesulfonate Traditional Name: N,N-dimethylcarbamic acid (1,3-dimethylimidazol-1-ium-2-yl)methyl ester tosylate Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1COC(=O)N(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1COC(=O)N(C)C)C

InChI

InChI=1S/C9H16N3O2.C7H8O3S/c1-10(2)9(13)14-7-8-11(3)5-6-12(8)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-6H,7H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1