9-(4-iodanylbutyl)heptadecan-9-ylazanium bromide

Systemtic Name: 9-(4-iodanylbutyl)heptadecan-9-ylazanium bromide Openeye Name: [1-(4-iodobutyl)-1-octyl-nonyl]ammonium bromide CAS Name: 9-(4-iodobutyl)heptadecan-9-ylammonium bromide IUPAC Name: 9-(4-iodobutyl)heptadecan-9-ylazanium bromide Traditional Name: [1-(4-iodobutyl)-1-octyl-nonyl]ammonium bromide Formula: C21H45BrIN MolecularWeight: 518.39717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCCCI)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCCCI)[NH3+].[Br-]

InChI

InChI=1S/C21H44IN.BrH/c1-3-5-7-9-11-13-17-21(23,19-15-16-20-22)18-14-12-10-8-6-4-2;/h3-20,23H2,1-2H3;1H