4-pentyl-1-[12-(4-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride

Systemtic Name: 4-pentyl-1-[12-(4-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Openeye Name: 4-pentyl-1-[12-(4-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride CAS Name: 4-pentyl-1-[12-(4-pentyl-1-pyridin-1-iumyl)dodecyl]pyridin-1-ium dichloride IUPAC Name: 4-pentyl-1-[12-(4-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Traditional Name: 4-amyl-1-[12-(4-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=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)CCCCC.[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C32H54N2.2ClH/c1-3-5-15-19-31-21-27-33(28-22-31)25-17-13-11-9-7-8-10-12-14-18-26-34-29-23-32(24-30-34)20-16-6-4-2;;/h21-24,27-30H,3-20,25-26H2,1-2H3;2*1H/q+2;;/p-2