1-dodecyl-2-[4-(1-dodecylpyridin-1-ium-2-yl)butyl]pyridin-1-ium dichloride

Systemtic Name: 1-dodecyl-2-[4-(1-dodecylpyridin-1-ium-2-yl)butyl]pyridin-1-ium dichloride Openeye Name: 1-dodecyl-2-[4-(1-dodecylpyridin-1-ium-2-yl)butyl]pyridin-1-ium dichloride CAS Name: 1-dodecyl-2-[4-(1-dodecyl-2-pyridin-1-iumyl)butyl]pyridin-1-ium dichloride IUPAC Name: 1-dodecyl-2-[4-(1-dodecylpyridin-1-ium-2-yl)butyl]pyridin-1-ium dichloride Traditional Name: 1-lauryl-2-[4-(1-laurylpyridin-1-ium-2-yl)butyl]pyridin-1-ium dichloride Formula: C38H66Cl2N2 MolecularWeight: 621.85004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C38H66N2.2ClH/c1-3-5-7-9-11-13-15-17-19-25-33-39-35-27-23-31-37(39)29-21-22-30-38-32-24-28-36-40(38)34-26-20-18-16-14-12-10-8-6-4-2;;/h23-24,27-28,31-32,35-36H,3-22,25-26,29-30,33-34H2,1-2H3;2*1H/q+2;;/p-2