4-butyl-1-[12-(4-butylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride

Systemtic Name: 4-butyl-1-[12-(4-butylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Openeye Name: 4-butyl-1-[12-(4-butylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride CAS Name: 4-butyl-1-[12-(4-butyl-1-pyridin-1-iumyl)dodecyl]pyridin-1-ium dichloride IUPAC Name: 4-butyl-1-[12-(4-butylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Traditional Name: 4-butyl-1-[12-(4-butylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium dichloride Formula: C30H50Cl2N2 MolecularWeight: 509.6374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)CCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)CCCC.[Cl-].[Cl-]

InChI

InChI=1S/C30H50N2.2ClH/c1-3-5-17-29-19-25-31(26-20-29)23-15-13-11-9-7-8-10-12-14-16-24-32-27-21-30(22-28-32)18-6-4-2;;/h19-22,25-28H,3-18,23-24H2,1-2H3;2*1H/q+2;;/p-2