3-methyl-1-[12-(3-methyl-4-nonan-5-yl-pyridin-1-ium-1-yl)dodecyl]-4-nonan-5-yl-pyridin-1-ium dichloride

Systemtic Name: 3-methyl-1-[12-(3-methyl-4-nonan-5-yl-pyridin-1-ium-1-yl)dodecyl]-4-nonan-5-yl-pyridin-1-ium dichloride Openeye Name: 4-(1-butylpentyl)-1-[12-[4-(1-butylpentyl)-3-methyl-pyridin-1-ium-1-yl]dodecyl]-3-methyl-pyridin-1-ium dichloride CAS Name: 3-methyl-1-[12-(3-methyl-4-nonan-5-yl-1-pyridin-1-iumyl)dodecyl]-4-nonan-5-ylpyridin-1-ium dichloride IUPAC Name: 3-methyl-1-[12-(3-methyl-4-nonan-5-ylpyridin-1-ium-1-yl)dodecyl]-4-nonan-5-ylpyridin-1-ium dichloride Traditional Name: 4-(1-butylpentyl)-1-[12-[4-(1-butylpentyl)-3-methyl-pyridin-1-ium-1-yl]dodecyl]-3-methyl-pyridin-1-ium dichloride Formula: C42H74Cl2N2 MolecularWeight: 677.95636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H74N2.2ClH/c1-7-11-25-39(26-12-8-2)41-29-33-43(35-37(41)5)31-23-21-19-17-15-16-18-20-22-24-32-44-34-30-42(38(6)36-44)40(27-13-9-3)28-14-10-4;;/h29-30,33-36,39-40H,7-28,31-32H2,1-6H3;2*1H/q+2;;/p-2