3-ethyl-1-[12-(3-ethylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dibromide

Systemtic Name: 3-ethyl-1-[12-(3-ethylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dibromide Openeye Name: 3-ethyl-1-[12-(3-ethylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dibromide CAS Name: 3-ethyl-1-[12-(3-ethyl-1-pyridin-1-iumyl)dodecyl]pyridin-1-ium dibromide IUPAC Name: 3-ethyl-1-[12-(3-ethylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dibromide Traditional Name: 3-ethyl-1-[12-(3-ethylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dibromide Formula: C26H42Br2N2 MolecularWeight: 542.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)CCCCCCCCCCCC[N+]2=CC=CC(=C2)CC.[Br-].[Br-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)CCCCCCCCCCCC[N+]2=CC=CC(=C2)CC.[Br-].[Br-]

InChI

InChI=1S/C26H42N2.2BrH/c1-3-25-17-15-21-27(23-25)19-13-11-9-7-5-6-8-10-12-14-20-28-22-16-18-26(4-2)24-28;;/h15-18,21-24H,3-14,19-20H2,1-2H3;2*1H/q+2;;/p-2