triethyl-[3-(2,3,3-trimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-1-yl)propanoyloxy]azanium

Systemtic Name: triethyl-[3-(2,3,3-trimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-1-yl)propanoyloxy]azanium Openeye Name: triethyl-[3-(2,3,3-trimethyl-5-oxidoperoxysulfanyl-indol-1-ium-1-yl)propanoyloxy]ammonium CAS Name: triethyl-[1-oxo-3-[2,3,3-trimethyl-5-(oxidodioxythio)-1-indol-1-iumyl]propoxy]ammonium IUPAC Name: triethyl-[3-(2,3,3-trimethyl-5-oxidoperoxysulfanylindol-1-ium-1-yl)propanoyloxy]azanium Traditional Name: triethyl-[3-[2,3,3-trimethyl-5-(oxidoperoxythio)indol-1-ium-1-yl]propanoyloxy]ammonium Formula: C20H31N2O5S+ MolecularWeight: 411.53554

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)OC(=O)CC[N+]1=C(C(C2=C1C=CC(=C2)SOO[O-])(C)C)C

Isomeric SMILES

CC[N+](CC)(CC)OC(=O)CC[N+]1=C(C(C2=C1C=CC(=C2)SOO[O-])(C)C)C

InChI

InChI=1S/C20H31N2O5S/c1-7-22(8-2,9-3)25-19(23)12-13-21-15(4)20(5,6)17-14-16(28-27-26-24)10-11-18(17)21/h10-11,14H,7-9,12-13H2,1-6H3/q+1