2-[1-[12-[4-(2-oxidanylhexan-2-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]hexan-2-ol dibromide

Systemtic Name: 2-[1-[12-[4-(2-oxidanylhexan-2-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]hexan-2-ol dibromide Openeye Name: 2-[1-[12-[4-(1-hydroxy-1-methyl-pentyl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]hexan-2-ol dibromide CAS Name: 2-[1-[12-[4-(2-hydroxyhexan-2-yl)-1-pyridin-1-iumyl]dodecyl]-4-pyridin-1-iumyl]-2-hexanol dibromide IUPAC Name: 2-[1-[12-[4-(2-hydroxyhexan-2-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]hexan-2-ol dibromide Traditional Name: 2-[1-[12-[4-(1-hydroxy-1-methyl-pentyl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]hexan-2-ol dibromide Formula: C34H58Br2N2O2 MolecularWeight: 686.64452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58N2O2.2BrH/c1-5-7-23-33(3,37)31-19-27-35(28-20-31)25-17-15-13-11-9-10-12-14-16-18-26-36-29-21-32(22-30-36)34(4,38)24-8-6-2;;/h19-22,27-30,37-38H,5-18,23-26H2,1-4H3;2*1H/q+2;;/p-2