5-butylicosan-5-yl(2-propylhexyl)azanium bromide

Systemtic Name: 5-butylicosan-5-yl(2-propylhexyl)azanium bromide Openeye Name: 1,1-dibutylhexadecyl(2-propylhexyl)ammonium bromide CAS Name: 5-butyleicosan-5-yl(2-propylhexyl)ammonium bromide IUPAC Name: 5-butylicosan-5-yl(2-propylhexyl)azanium bromide Traditional Name: 1,1-dibutylhexadecyl(2-propylhexyl)ammonium bromide Formula: C33H70BrN MolecularWeight: 560.8196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCC)(CCCC)[NH2+]CC(CCC)CCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCC)(CCCC)[NH2+]CC(CCC)CCCC.[Br-]

InChI

InChI=1S/C33H69N.BrH/c1-6-11-15-16-17-18-19-20-21-22-23-24-25-30-33(28-13-8-3,29-14-9-4)34-31-32(26-10-5)27-12-7-2;/h32,34H,6-31H2,1-5H3;1H