trimethyl-[6-[4-(phenylmethyl)pyridin-1-ium-1-yl]hexyl]azanium dibromide

Systemtic Name: trimethyl-[6-[4-(phenylmethyl)pyridin-1-ium-1-yl]hexyl]azanium dibromide Openeye Name: 6-(4-benzylpyridin-1-ium-1-yl)hexyl-trimethyl-ammonium dibromide CAS Name: trimethyl-[6-[4-(phenylmethyl)-1-pyridin-1-iumyl]hexyl]ammonium dibromide IUPAC Name: 6-(4-benzylpyridin-1-ium-1-yl)hexyl-trimethylazanium dibromide Traditional Name: 6-(4-benzylpyridin-1-ium-1-yl)hexyl-trimethyl-ammonium dibromide Formula: C21H32Br2N2 MolecularWeight: 472.30018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2.2BrH/c1-23(2,3)18-10-5-4-9-15-22-16-13-21(14-17-22)19-20-11-7-6-8-12-20;;/h6-8,11-14,16-17H,4-5,9-10,15,18-19H2,1-3H3;2*1H/q+2;;/p-2