5,6-dibutylicosan-5-ylazanium chloride

Systemtic Name: 5,6-dibutylicosan-5-ylazanium chloride Openeye Name: 1,1,2-tributylhexadecylammonium chloride CAS Name: 5,6-dibutyleicosan-5-ylammonium chloride IUPAC Name: 5,6-dibutylicosan-5-ylazanium chloride Traditional Name: 1,1,2-tributylhexadecylammonium chloride Formula: C28H60ClN MolecularWeight: 446.2357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59N.ClH/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