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

Systemtic Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium Openeye Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium CAS Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium IUPAC Name: 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium Traditional Name: 2-butyl-2-cetyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium Formula: C28H56N+ MolecularWeight: 406.75094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC2CCCCC2C1)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CC2CCCCC2C1)CCCC

InChI

InChI=1S/C28H56N/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/q+1