1-ethyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate

Systemtic Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate Openeye Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate CAS Name: 1-ethyl-2,3,3-trimethyl-5-indol-1-iumsulfonate IUPAC Name: 1-ethyl-2,3,3-trimethylindol-1-ium-5-sulfonate Traditional Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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