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

Systemtic Name: 2,3,3-trimethyl-1-octadecyl-indol-1-ium perchlorate Openeye Name: 2,3,3-trimethyl-1-octadecyl-indol-1-ium perchlorate CAS Name: 2,3,3-trimethyl-1-octadecylindol-1-ium perchlorate IUPAC Name: 2,3,3-trimethyl-1-octadecylindol-1-ium perchlorate Traditional Name: 2,3,3-trimethyl-1-stearyl-indol-1-ium perchlorate Formula: C29H50ClNO4 MolecularWeight: 512.1646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H50N.ClHO4/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;2-1(3,4)5/h20-21,23-24H,5-19,22,25H2,1-4H3;(H,2,3,4,5)/q+1;/p-1