4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butylazanium dichloride

Systemtic Name: 4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butylazanium dichloride Openeye Name: 4-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]butylammonium dichloride CAS Name: 4-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)butylammonium dichloride IUPAC Name: 4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butylazanium dichloride Traditional Name: 4-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]butylammonium dichloride Formula: C42H82Cl2N2 MolecularWeight: 686.01988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C42H81N2.2ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41(42-35-39-44(40-36-42)38-32-31-37-43)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h35-36,39-41H,3-34,37-38,43H2,1-2H3;2*1H/q+1;;/p-1