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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50N2.2ClH/c1-29(2,3)27-17-23-31(24-18-27)21-15-13-11-9-7-8-10-12-14-16-22-32-25-19-28(20-26-32)30(4,5)6;;/h17-20,23-26H,7-16,21-22H2,1-6H3;2*1H/q+2;;/p-2