2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide

Systemtic Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Openeye Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide CAS Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide IUPAC Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Traditional Name: 2-butyl-2-cetyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Formula: C28H56IN MolecularWeight: 533.65541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC2CCCCC2C1)CCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CC2CCCCC2C1)CCCC.[I-]

InChI

InChI=1S/C28H56N.HI/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-29(23-6-4-2)25-27-21-18-19-22-28(27)26-29;/h27-28H,3-26H2,1-2H3;1H/q+1;/p-1