dodecyl-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]-methyl-(phenylmethyl)azanium dibromide

Systemtic Name: dodecyl-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]-methyl-(phenylmethyl)azanium dibromide Openeye Name: benzyl-dodecyl-methyl-[3-(4-vinylpyridin-1-ium-1-yl)propyl]ammonium dibromide CAS Name: dodecyl-[3-(4-ethenyl-1-pyridin-1-iumyl)propyl]-methyl-(phenylmethyl)ammonium dibromide IUPAC Name: benzyl-dodecyl-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]-methylazanium dibromide Traditional Name: benzyl-lauryl-methyl-[3-(4-vinylpyridin-1-ium-1-yl)propyl]ammonium dibromide Formula: C30H48Br2N2 MolecularWeight: 596.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CCC[N+]1=CC=C(C=C1)C=C)CC2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CCC[N+]1=CC=C(C=C1)C=C)CC2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C30H48N2.2BrH/c1-4-6-7-8-9-10-11-12-13-17-26-32(3,28-30-19-15-14-16-20-30)27-18-23-31-24-21-29(5-2)22-25-31;;/h5,14-16,19-22,24-25H,2,4,6-13,17-18,23,26-28H2,1,3H3;2*1H/q+2;;/p-2