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

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


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