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

Systemtic Name: 4-chloranyl-3-ethyl-1-methyl-N-[[2,3,5,6-tetrakis(fluoranyl)-4-pentyl-phenyl]methyl]pyrazol-1-ium-1-carboxamide Openeye Name: 4-chloro-3-ethyl-1-methyl-N-[(2,3,5,6-tetrafluoro-4-pentyl-phenyl)methyl]pyrazol-1-ium-1-carboxamide CAS Name: 4-chloro-3-ethyl-1-methyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]-1-pyrazol-1-iumcarboxamide IUPAC Name: 4-chloro-3-ethyl-1-methyl-N-[(2,3,5,6-tetrafluoro-4-pentylphenyl)methyl]pyrazol-1-ium-1-carboxamide Traditional Name: N-(4-amyl-2,3,5,6-tetrafluoro-benzyl)-4-chloro-3-ethyl-1-methyl-pyrazol-1-ium-1-carboxamide Formula: C19H23ClF4N3O+ MolecularWeight: 420.852033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1F)F)CNC(=O)[N+]2(C=C(C(=N2)CC)Cl)C)F)F

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1F)F)CNC(=O)[N+]2(C=C(C(=N2)CC)Cl)C)F)F

InChI

InChI=1S/C19H22ClF4N3O/c1-4-6-7-8-11-15(21)17(23)12(18(24)16(11)22)9-25-19(28)27(3)10-13(20)14(5-2)26-27/h10H,4-9H2,1-3H3/p+1