[2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]-(cyclohexylcarbonylamino)-dimethyl-azanium

Systemtic Name: [2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]-(cyclohexylcarbonylamino)-dimethyl-azanium Openeye Name: (cyclohexanecarbonylamino)-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-dimethyl-ammonium CAS Name: [[cyclohexyl(oxo)methyl]amino]-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-dimethylammonium IUPAC Name: (cyclohexanecarbonylamino)-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-dimethylazanium Traditional Name: (cyclohexanecarbonylamino)-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-dimethyl-ammonium Formula: C20H28F2N5O2+ MolecularWeight: 408.465426

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3CCCCC3

Isomeric SMILES

C[N+](C)(CC(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3CCCCC3

InChI

InChI=1S/C20H27F2N5O2/c1-27(2,25-19(28)15-6-4-3-5-7-15)12-20(29,11-26-14-23-13-24-26)17-9-8-16(21)10-18(17)22/h8-10,13-15,29H,3-7,11-12H2,1-2H3/p+1