3-cyclohepta-2,4,6-trien-1-ylsulfonyl-1,5,5-trimethyl-4H-imidazol-1-ium iodide

Systemtic Name: 3-cyclohepta-2,4,6-trien-1-ylsulfonyl-1,5,5-trimethyl-4H-imidazol-1-ium iodide Openeye Name: 3-cyclohepta-2,4,6-trien-1-ylsulfonyl-1,5,5-trimethyl-4H-imidazol-1-ium iodide CAS Name: 3-(1-cyclohepta-2,4,6-trienylsulfonyl)-1,5,5-trimethyl-4H-imidazol-1-ium iodide IUPAC Name: 3-cyclohepta-2,4,6-trien-1-ylsulfonyl-1,5,5-trimethyl-4H-imidazol-1-ium iodide Traditional Name: 1-cyclohepta-2,4,6-trien-1-ylsulfonyl-3,4,4-trimethyl-2-imidazolin-3-ium iodide Formula: C13H19IN2O2S MolecularWeight: 394.27163

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C=[N+]1C)S(=O)(=O)C2C=CC=CC=C2)C.[I-]

Isomeric SMILES

CC1(CN(C=[N+]1C)S(=O)(=O)C2C=CC=CC=C2)C.[I-]

InChI

InChI=1S/C13H19N2O2S.HI/c1-13(2)10-15(11-14(13)3)18(16,17)12-8-6-4-5-7-9-12;/h4-9,11-12H,10H2,1-3H3;1H/q+1;/p-1