1-[11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecakis(fluoranyl)octadecyl]pyridin-1-ium bromide

Systemtic Name: 1-[11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecakis(fluoranyl)octadecyl]pyridin-1-ium bromide Openeye Name: 1-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecafluorooctadecyl)pyridin-1-ium bromide CAS Name: 1-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecafluorooctadecyl)pyridin-1-ium bromide IUPAC Name: 1-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecafluorooctadecyl)pyridin-1-ium bromide Traditional Name: 1-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecafluorooctadecyl)pyridin-1-ium bromide Formula: C23H25BrF17N MolecularWeight: 718.328154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Br-]

InChI

InChI=1S/C23H25F17N.BrH/c24-16(25,12-8-5-3-1-2-4-6-9-13-41-14-10-7-11-15-41)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40;/h7,10-11,14-15H,1-6,8-9,12-13H2;1H/q+1;/p-1