1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium dichloride

Systemtic Name: 1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium dichloride Openeye Name: 1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium dichloride CAS Name: 1-octyl-4-(1-octyl-4-pyridin-1-iumyl)pyridin-1-ium dichloride IUPAC Name: 1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium dichloride Traditional Name: 1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium dichloride Formula: C26H42Cl2N2 MolecularWeight: 453.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C26H42N2.2ClH/c1-3-5-7-9-11-13-19-27-21-15-25(16-22-27)26-17-23-28(24-18-26)20-14-12-10-8-6-4-2;;/h15-18,21-24H,3-14,19-20H2,1-2H3;2*1H/q+2;;/p-2