2-(5-fluoranyl-1,2-dimethyl-indol-1-ium-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(5-fluoranyl-1,2-dimethyl-indol-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-fluoro-1,2-dimethyl-indol-1-ium-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-fluoro-1,2-dimethyl-1-indol-1-iumyl)ethyl ester IUPAC Name: 2-(5-fluoro-1,2-dimethylindol-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-fluoro-1,2-dimethyl-indol-1-ium-1-yl)ethyl ester Formula: C19H21FNO3S+ MolecularWeight: 362.438343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2(C(=CC3=C2C=CC(=C3)F)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2(C(=CC3=C2C=CC(=C3)F)C)C

InChI

InChI=1S/C19H21FNO3S/c1-14-4-7-18(8-5-14)25(22,23)24-11-10-21(3)15(2)12-16-13-17(20)6-9-19(16)21/h4-9,12-13H,10-11H2,1-3H3/q+1