1-ethyl-4-iodanyl-2,3,3-trimethyl-5-(phenylsulfonyl)indol-1-ium

Systemtic Name: 1-ethyl-4-iodanyl-2,3,3-trimethyl-5-(phenylsulfonyl)indol-1-ium Openeye Name: 5-(benzenesulfonyl)-1-ethyl-4-iodo-2,3,3-trimethyl-indol-1-ium CAS Name: 5-(benzenesulfonyl)-1-ethyl-4-iodo-2,3,3-trimethylindol-1-ium IUPAC Name: 5-(benzenesulfonyl)-1-ethyl-4-iodo-2,3,3-trimethylindol-1-ium Traditional Name: 5-besyl-1-ethyl-4-iodo-2,3,3-trimethyl-indol-1-ium Formula: C19H21INO2S+ MolecularWeight: 454.34501

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2I)S(=O)(=O)C3=CC=CC=C3)(C)C)C

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2I)S(=O)(=O)C3=CC=CC=C3)(C)C)C

InChI

InChI=1S/C19H21INO2S/c1-5-21-13(2)19(3,4)17-15(21)11-12-16(18(17)20)24(22,23)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3/q+1