2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride

Systemtic Name: 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Openeye Name: 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride CAS Name: 2-pentyl-1-[12-(2-pentyl-1-pyridin-1-iumyl)dodecyl]pyridin-1-ium dichloride IUPAC Name: 2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Traditional Name: 2-amyl-1-[12-(2-amylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Formula: C32H54Cl2N2 MolecularWeight: 537.69056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=[N+]1CCCCCCCCCCCC[N+]2=CC=CC=C2CCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCC1=CC=CC=[N+]1CCCCCCCCCCCC[N+]2=CC=CC=C2CCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C32H54N2.2ClH/c1-3-5-15-23-31-25-17-21-29-33(31)27-19-13-11-9-7-8-10-12-14-20-28-34-30-22-18-26-32(34)24-16-6-4-2;;/h17-18,21-22,25-26,29-30H,3-16,19-20,23-24,27-28H2,1-2H3;2*1H/q+2;;/p-2