methyl-dioctyl-(4-phenylbutyl)azanium bromide

Systemtic Name: methyl-dioctyl-(4-phenylbutyl)azanium bromide Openeye Name: methyl-dioctyl-(4-phenylbutyl)ammonium bromide CAS Name: methyl-dioctyl-(4-phenylbutyl)ammonium bromide IUPAC Name: methyl-dioctyl-(4-phenylbutyl)azanium bromide Traditional Name: methyl-dioctyl-(4-phenylbutyl)ammonium bromide Formula: C27H50BrN MolecularWeight: 468.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CCCCC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C27H50N.BrH/c1-4-6-8-10-12-18-24-28(3,25-19-13-11-9-7-5-2)26-20-17-23-27-21-15-14-16-22-27;/h14-16,21-22H,4-13,17-20,23-26H2,1-3H3;1H/q+1;/p-1