13-dodecylhexacosan-13-ylazanium bromide

Systemtic Name: 13-dodecylhexacosan-13-ylazanium bromide Openeye Name: 1,1-didodecyltetradecylammonium bromide CAS Name: 13-dodecylhexacosan-13-ylammonium bromide IUPAC Name: 13-dodecylhexacosan-13-ylazanium bromide Traditional Name: 1,1-dilauryltetradecylammonium bromide Formula: C38H80BrN MolecularWeight: 630.9525

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+].[Br-]

InChI

InChI=1S/C38H79N.BrH/c1-4-7-10-13-16-19-22-25-28-31-34-37-38(39,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;/h4-37,39H2,1-3H3;1H