1-decyl-4-[6-(1-decylpyridin-1-ium-4-yl)oxyhexoxy]pyridin-1-ium dibromide

Systemtic Name: 1-decyl-4-[6-(1-decylpyridin-1-ium-4-yl)oxyhexoxy]pyridin-1-ium dibromide Openeye Name: 1-decyl-4-[6-(1-decylpyridin-1-ium-4-yl)oxyhexoxy]pyridin-1-ium dibromide CAS Name: 1-decyl-4-[6-[(1-decyl-4-pyridin-1-iumyl)oxy]hexoxy]pyridin-1-ium dibromide IUPAC Name: 1-decyl-4-[6-(1-decylpyridin-1-ium-4-yl)oxyhexoxy]pyridin-1-ium dibromide Traditional Name: 1-decyl-4-[6-(1-decylpyridin-1-ium-4-yl)oxyhexoxy]pyridin-1-ium dibromide Formula: C36H62Br2N2O2 MolecularWeight: 714.69768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=C(C=C1)OCCCCCCOC2=CC=[N+](C=C2)CCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=C(C=C1)OCCCCCCOC2=CC=[N+](C=C2)CCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C36H62N2O2.2BrH/c1-3-5-7-9-11-13-15-19-27-37-29-23-35(24-30-37)39-33-21-17-18-22-34-40-36-25-31-38(32-26-36)28-20-16-14-12-10-8-6-4-2;;/h23-26,29-32H,3-22,27-28,33-34H2,1-2H3;2*1H/q+2;;/p-2