1-[12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecakis(fluoranyl)nonadecyl]pyridin-1-ium bromide

Systemtic Name: 1-[12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecakis(fluoranyl)nonadecyl]pyridin-1-ium bromide Openeye Name: 1-(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)pyridin-1-ium bromide CAS Name: 1-(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)pyridin-1-ium bromide IUPAC Name: 1-(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)pyridin-1-ium bromide Traditional Name: 1-(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)pyridin-1-ium bromide Formula: C24H27BrF17N MolecularWeight: 732.354734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCCCCCCCCC(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)CCCCCCCCCCCC(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/C24H27F17N.BrH/c25-17(26,13-9-6-4-2-1-3-5-7-10-14-42-15-11-8-12-16-42)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41;/h8,11-12,15-16H,1-7,9-10,13-14H2;1H/q+1;/p-1