3-pentyl-1-[12-(3-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride

Systemtic Name: 3-pentyl-1-[12-(3-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Openeye Name: 3-pentyl-1-[12-(3-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride CAS Name: 3-pentyl-1-[12-(3-pentyl-1-pyridin-1-iumyl)dodecyl]pyridin-1-ium dichloride IUPAC Name: 3-pentyl-1-[12-(3-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Traditional Name: 3-amyl-1-[12-(3-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=C[N+](=CC=C1)CCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCC1=C[N+](=CC=C1)CCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C32H54N2.2ClH/c1-3-5-15-21-31-23-19-27-33(29-31)25-17-13-11-9-7-8-10-12-14-18-26-34-28-20-24-32(30-34)22-16-6-4-2;;/h19-20,23-24,27-30H,3-18,21-22,25-26H2,1-2H3;2*1H/q+2;;/p-2