dodecyl-dimethyl-(phenylmethyl)azanium bromide chloride

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium bromide chloride Openeye Name: benzyl-dodecyl-dimethyl-ammonium bromide chloride CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium bromide chloride IUPAC Name: benzyl-dodecyl-dimethylazanium bromide chloride Traditional Name: benzyl-lauryl-dimethyl-ammonium bromide chloride Formula: C42H76BrClN2 MolecularWeight: 724.42324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Br-]

InChI

InChI=1S/2C21H38N.BrH.ClH/c2*1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;/h2*13-15,17-18H,4-12,16,19-20H2,1-3H3;2*1H/q2*+1;;/p-2