1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)indol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)indol-1-ium; 4-methylbenzenesulfonate Openeye Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-indol-1-ium; 4-methylbenzenesulfonate CAS Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium; 4-methylbenzenesulfonate Traditional Name: 5-besyl-1-ethyl-3,3-dimethyl-indol-1-ium tosylate Formula: C25H27NO5S2 MolecularWeight: 485.61558

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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.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H20NO2S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5-13H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1