9-(3-chloranyl-3-methyl-butyl)heptadecan-9-ylazanium bromide

Systemtic Name: 9-(3-chloranyl-3-methyl-butyl)heptadecan-9-ylazanium bromide Openeye Name: [1-(3-chloro-3-methyl-butyl)-1-octyl-nonyl]ammonium bromide CAS Name: 9-(3-chloro-3-methylbutyl)heptadecan-9-ylammonium bromide IUPAC Name: 9-(3-chloro-3-methylbutyl)heptadecan-9-ylazanium bromide Traditional Name: [1-(3-chloro-3-methyl-butyl)-1-octyl-nonyl]ammonium bromide Formula: C22H47BrClN MolecularWeight: 440.97228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H46ClN.BrH/c1-5-7-9-11-13-15-17-22(24,20-19-21(3,4)23)18-16-14-12-10-8-6-2;/h5-20,24H2,1-4H3;1H