4-octyl-1-[12-(4-octylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride

Systemtic Name: 4-octyl-1-[12-(4-octylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Openeye Name: 4-octyl-1-[12-(4-octylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride CAS Name: 4-octyl-1-[12-(4-octyl-1-pyridin-1-iumyl)dodecyl]pyridin-1-ium dichloride IUPAC Name: 4-octyl-1-[12-(4-octylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Traditional Name: 4-octyl-1-[12-(4-octylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Formula: C38H66Cl2N2 MolecularWeight: 621.85004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)CCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)CCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C38H66N2.2ClH/c1-3-5-7-9-17-21-25-37-27-33-39(34-28-37)31-23-19-15-13-11-12-14-16-20-24-32-40-35-29-38(30-36-40)26-22-18-10-8-6-4-2;;/h27-30,33-36H,3-26,31-32H2,1-2H3;2*1H/q+2;;/p-2