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

Systemtic Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)ethyl N,N-dimethylcarbamate; 4-methylbenzenesulfonate Openeye Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)ethyl N,N-dimethylcarbamate; 4-methylbenzenesulfonate CAS Name: N,N-dimethylcarbamic acid 2-(1,3-dimethyl-2-imidazol-1-iumyl)ethyl ester; 4-methylbenzenesulfonate IUPAC Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)ethyl N,N-dimethylcarbamate; 4-methylbenzenesulfonate Traditional Name: N,N-dimethylcarbamic acid 2-(1,3-dimethylimidazol-1-ium-2-yl)ethyl ester tosylate Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1CCOC(=O)N(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=C[N+](=C1CCOC(=O)N(C)C)C

InChI

InChI=1S/C10H18N3O2.C7H8O3S/c1-11(2)10(14)15-8-5-9-12(3)6-7-13(9)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,5,8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1