ethyl 2,3,3-trimethylindol-1-ium-5-sulfonate

Systemtic Name: ethyl 2,3,3-trimethylindol-1-ium-5-sulfonate Openeye Name: ethyl 2,3,3-trimethylindol-1-ium-5-sulfonate CAS Name: 2,3,3-trimethyl-5-indol-1-iumsulfonic acid ethyl ester IUPAC Name: ethyl 2,3,3-trimethylindol-1-ium-5-sulfonate Traditional Name: 2,3,3-trimethylindol-1-ium-5-sulfonic acid ethyl ester Formula: C13H18NO3S+ MolecularWeight: 268.35192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC2=C(C=C1)[NH+]=C(C2(C)C)C

Isomeric SMILES

CCOS(=O)(=O)C1=CC2=C(C=C1)[NH+]=C(C2(C)C)C

InChI

InChI=1S/C13H17NO3S/c1-5-17-18(15,16)10-6-7-12-11(8-10)13(3,4)9(2)14-12/h6-8H,5H2,1-4H3/p+1