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

Systemtic Name: 2-hexadecyl-2-prop-2-enyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Openeye Name: 2-allyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide CAS Name: 2-hexadecyl-2-prop-2-enyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide IUPAC Name: 2-hexadecyl-2-prop-2-enyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Traditional Name: 2-allyl-2-cetyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide Formula: C27H52IN MolecularWeight: 517.61295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H52N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-28(22-4-2)24-26-20-17-18-21-27(26)25-28;/h4,26-27H,2-3,5-25H2,1H3;1H/q+1;/p-1