4-chloranyl-3-ethyl-1-methyl-N-[[2,3,5,6-tetrakis(fluoranyl)-4-pentylsulfanyl-phenyl]methyl]pyrazol-1-ium-1-carboxamide

Systemtic Name: 4-chloranyl-3-ethyl-1-methyl-N-[[2,3,5,6-tetrakis(fluoranyl)-4-pentylsulfanyl-phenyl]methyl]pyrazol-1-ium-1-carboxamide Openeye Name: 4-chloro-3-ethyl-1-methyl-N-[(2,3,5,6-tetrafluoro-4-pentylsulfanyl-phenyl)methyl]pyrazol-1-ium-1-carboxamide CAS Name: 4-chloro-3-ethyl-1-methyl-N-[[2,3,5,6-tetrafluoro-4-(pentylthio)phenyl]methyl]-1-pyrazol-1-iumcarboxamide IUPAC Name: 4-chloro-3-ethyl-1-methyl-N-[(2,3,5,6-tetrafluoro-4-pentylsulfanylphenyl)methyl]pyrazol-1-ium-1-carboxamide Traditional Name: N-[4-(amylthio)-2,3,5,6-tetrafluoro-benzyl]-4-chloro-3-ethyl-1-methyl-pyrazol-1-ium-1-carboxamide Formula: C19H23ClF4N3OS+ MolecularWeight: 452.917033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C(=C(C(=C1F)F)CNC(=O)[N+]2(C=C(C(=N2)CC)Cl)C)F)F

Isomeric SMILES

CCCCCSC1=C(C(=C(C(=C1F)F)CNC(=O)[N+]2(C=C(C(=N2)CC)Cl)C)F)F

InChI

InChI=1S/C19H22ClF4N3OS/c1-4-6-7-8-29-18-16(23)14(21)11(15(22)17(18)24)9-25-19(28)27(3)10-12(20)13(5-2)26-27/h10H,4-9H2,1-3H3/p+1