2,3,3-trimethyl-1-octadecyl-indol-1-ium

Systemtic Name: 2,3,3-trimethyl-1-octadecyl-indol-1-ium Openeye Name: 2,3,3-trimethyl-1-octadecyl-indol-1-ium CAS Name: 2,3,3-trimethyl-1-octadecylindol-1-ium IUPAC Name: 2,3,3-trimethyl-1-octadecylindol-1-ium Traditional Name: 2,3,3-trimethyl-1-stearyl-indol-1-ium Formula: C29H50N+ MolecularWeight: 412.714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C

InChI

InChI=1S/C29H50N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-30-26(2)29(3,4)27-23-20-21-24-28(27)30/h20-21,23-24H,5-19,22,25H2,1-4H3/q+1