1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)indol-1-ium iodide

Systemtic Name: 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)indol-1-ium iodide Openeye Name: 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-indol-1-ium iodide CAS Name: 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethylindol-1-ium iodide IUPAC Name: 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethylindol-1-ium iodide Traditional Name: 5-besyl-1-ethyl-2,3,3-trimethyl-indol-1-ium iodide Formula: C19H22INO2S MolecularWeight: 455.35295

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C.[I-]

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C.[I-]

InChI

InChI=1S/C19H22NO2S.HI/c1-5-20-14(2)19(3,4)17-13-16(11-12-18(17)20)23(21,22)15-9-7-6-8-10-15;/h6-13H,5H2,1-4H3;1H/q+1;/p-1