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

Systemtic Name: 2-hexadecyl-2-prop-2-enyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium Openeye Name: 2-allyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium CAS Name: 2-hexadecyl-2-prop-2-enyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium IUPAC Name: 2-hexadecyl-2-prop-2-enyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium Traditional Name: 2-allyl-2-cetyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium Formula: C27H52N+ MolecularWeight: 390.70848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H52N/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/q+1