1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; tetrabutylazanium; dichloride; hydrobromide

Systemtic Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; tetrabutylazanium; dichloride; hydrobromide Openeye Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; tetrabutylammonium; dichloride; hydrobromide CAS Name: 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium; tetrabutylammonium; dichloride; hydrobromide IUPAC Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; tetrabutylazanium; dichloride; hydrobromide Traditional Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; tetrabutylammonium; dichloride; hydrobromide Formula: C28H51BrCl2N3+ MolecularWeight: 580.53464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-].Br

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-].Br

InChI

InChI=1S/C16H36N.C12H14N2.BrH.2ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;;/h5-16H2,1-4H3;3-10H,1-2H3;3*1H/q+1;+2;;;/p-2