furan-2-ylmethyl-[(2R)-2-oxidanyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]azanium

Systemtic Name: furan-2-ylmethyl-[(2R)-2-oxidanyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]azanium Openeye Name: 2-furylmethyl-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]ammonium CAS Name: 2-furanylmethyl-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)-1-pyrazolyl]propyl]ammonium IUPAC Name: furan-2-ylmethyl-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]azanium Traditional Name: 2-furfuryl-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]ammonium Formula: C12H15F3N3O2+ MolecularWeight: 290.26161

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH2+]CC(CN2C=CC(=N2)C(F)(F)F)O

Isomeric SMILES

C1=COC(=C1)C[NH2+]C[C@H](CN2C=CC(=N2)C(F)(F)F)O

InChI

InChI=1S/C12H14F3N3O2/c13-12(14,15)11-3-4-18(17-11)8-9(19)6-16-7-10-2-1-5-20-10/h1-5,9,16,19H,6-8H2/p+1/t9-/m1/s1