5,6-dibutylicosan-5-ylazanium bromide

Systemtic Name: 5,6-dibutylicosan-5-ylazanium bromide Openeye Name: 1,1,2-tributylhexadecylammonium bromide CAS Name: 5,6-dibutyleicosan-5-ylammonium bromide IUPAC Name: 5,6-dibutylicosan-5-ylazanium bromide Traditional Name: 1,1,2-tributylhexadecylammonium bromide Formula: C28H60BrN MolecularWeight: 490.6867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCC)C(CCCC)(CCCC)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCC)C(CCCC)(CCCC)[NH3+].[Br-]

InChI

InChI=1S/C28H59N.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-24-27(23-10-6-2)28(29,25-11-7-3)26-12-8-4;/h27H,5-26,29H2,1-4H3;1H