9-(3-bromanylbutyl)heptadecan-9-ylazanium bromide

Systemtic Name: 9-(3-bromanylbutyl)heptadecan-9-ylazanium bromide Openeye Name: [1-(3-bromobutyl)-1-octyl-nonyl]ammonium bromide CAS Name: 9-(3-bromobutyl)heptadecan-9-ylammonium bromide IUPAC Name: 9-(3-bromobutyl)heptadecan-9-ylazanium bromide Traditional Name: [1-(3-bromobutyl)-1-octyl-nonyl]ammonium bromide Formula: C21H45Br2N MolecularWeight: 471.3967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCC(C)Br)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCC(C)Br)[NH3+].[Br-]

InChI

InChI=1S/C21H44BrN.BrH/c1-4-6-8-10-12-14-17-21(23,19-16-20(3)22)18-15-13-11-9-7-5-2;/h20H,4-19,23H2,1-3H3;1H