2-[1-[12-[4-(2-oxidanylpropan-2-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]propan-2-ol dibromide

Systemtic Name: 2-[1-[12-[4-(2-oxidanylpropan-2-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]propan-2-ol dibromide Openeye Name: 2-[1-[12-[4-(1-hydroxy-1-methyl-ethyl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]propan-2-ol dibromide CAS Name: 2-[1-[12-[4-(2-hydroxypropan-2-yl)-1-pyridin-1-iumyl]dodecyl]-4-pyridin-1-iumyl]-2-propanol dibromide IUPAC Name: 2-[1-[12-[4-(2-hydroxypropan-2-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]propan-2-ol dibromide Traditional Name: 2-[1-[12-[4-(1-hydroxy-1-methyl-ethyl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]propan-2-ol dibromide Formula: C28H46Br2N2O2 MolecularWeight: 602.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O2.2BrH/c1-27(2,31)25-15-21-29(22-16-25)19-13-11-9-7-5-6-8-10-12-14-20-30-23-17-26(18-24-30)28(3,4)32;;/h15-18,21-24,31-32H,5-14,19-20H2,1-4H3;2*1H/q+2;;/p-2