dodecyl-dimethyl-(phenylmethyl)azanium bromide hydrate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium bromide hydrate Openeye Name: benzyl-dodecyl-dimethyl-ammonium bromide hydrate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium bromide hydrate IUPAC Name: benzyl-dodecyl-dimethylazanium bromide hydrate Traditional Name: benzyl-lauryl-dimethyl-ammonium bromide hydrate Formula: C21H40BrNO MolecularWeight: 402.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.BrH.H2O/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H;1H2/q+1;;/p-1