1-ethenyl-2,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethenyl-2,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; 4-methylbenzenesulfonate Openeye Name: 2,3-dimethyl-1-vinyl-4,5-dihydro-1H-imidazole-1,3-diium; 4-methylbenzenesulfonate CAS Name: 1-ethenyl-2,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; 4-methylbenzenesulfonate IUPAC Name: 1-ethenyl-2,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; 4-methylbenzenesulfonate Traditional Name: 1,2-dimethyl-3-vinyl-2-imidazoline-1,3-diium tosylate Formula: C14H21N2O3S+ MolecularWeight: 297.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](CC[NH+]1C=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](CC[NH+]1C=C)C

InChI

InChI=1S/C7H13N2.C7H8O3S/c1-4-9-6-5-8(3)7(9)2;1-6-2-4-7(5-3-6)11(8,9)10/h4H,1,5-6H2,2-3H3;2-5H,1H3,(H,8,9,10)/q+1;