trimethyl-[3-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)propyl]azanium dichloride

Systemtic Name: trimethyl-[3-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)propyl]azanium dichloride Openeye Name: 3-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]propyl-trimethyl-ammonium dichloride CAS Name: trimethyl-[3-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)propyl]ammonium dichloride IUPAC Name: trimethyl-[3-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)propyl]azanium dichloride Traditional Name: 3-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]propyl-trimethyl-ammonium dichloride Formula: C44H86Cl2N2 MolecularWeight: 714.07304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H86N2.2ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-43(44-37-40-45(41-38-44)39-34-42-46(3,4)5)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;;/h37-38,40-41,43H,6-36,39,42H2,1-5H3;2*1H/q+2;;/p-2