1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)indol-1-ium

Systemtic Name: 1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)indol-1-ium Openeye Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-indol-1-ium CAS Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium IUPAC Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium Traditional Name: 5-besyl-1-ethyl-3,3-dimethyl-indol-1-ium Formula: C18H20NO2S+ MolecularWeight: 314.4219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20NO2S/c1-4-19-13-18(2,3)16-12-15(10-11-17(16)19)22(20,21)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3/q+1