N,1-bis(fluoranyl)-2-(oxan-2-ylmethyl)-3-oxidanylidene-4-phenyl-N-propan-2-yl-1,2,4-triazolidin-4-ium-4-carboxamide

Systemtic Name: N,1-bis(fluoranyl)-2-(oxan-2-ylmethyl)-3-oxidanylidene-4-phenyl-N-propan-2-yl-1,2,4-triazolidin-4-ium-4-carboxamide Openeye Name: N,1-difluoro-N-isopropyl-3-oxo-4-phenyl-2-(tetrahydropyran-2-ylmethyl)-1,2,4-triazolidin-4-ium-4-carboxamide CAS Name: N,1-difluoro-2-(2-oxanylmethyl)-3-oxo-4-phenyl-N-propan-2-yl-1,2,4-triazolidin-4-ium-4-carboxamide IUPAC Name: N,1-difluoro-2-(oxan-2-ylmethyl)-3-oxo-4-phenyl-N-propan-2-yl-1,2,4-triazolidin-4-ium-4-carboxamide Traditional Name: N,1-difluoro-N-isopropyl-3-keto-4-phenyl-2-(tetrahydropyran-2-ylmethyl)-1,2,4-triazolidin-4-ium-4-carboxamide Formula: C18H25F2N4O3+ MolecularWeight: 383.412906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(=O)[N+]1(CN(N(C1=O)CC2CCCCO2)F)C3=CC=CC=C3)F

Isomeric SMILES

CC(C)N(C(=O)[N+]1(CN(N(C1=O)CC2CCCCO2)F)C3=CC=CC=C3)F

InChI

InChI=1S/C18H25F2N4O3/c1-14(2)23(20)18(26)24(15-8-4-3-5-9-15)13-22(19)21(17(24)25)12-16-10-6-7-11-27-16/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3/q+1