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

Systemtic Name: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Openeye Name: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide CAS Name: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide IUPAC Name: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Traditional Name: 2-cetyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Formula: C25H50IN MolecularWeight: 491.57567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H50N.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26(2)22-24-19-16-17-20-25(24)23-26;/h24-25H,3-23H2,1-2H3;1H/q+1;/p-1