2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylazanium

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylazanium Openeye Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylammonium CAS Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylammonium IUPAC Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylazanium Traditional Name: 2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylammonium Formula: C13H15F3N3O+ MolecularWeight: 286.27291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2CC[NH3+])C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2CC[NH3+])C(F)(F)F

InChI

InChI=1S/C13H14F3N3O/c1-20-9-4-2-8(3-5-9)11-10(6-7-17)12(19-18-11)13(14,15)16/h2-5H,6-7,17H2,1H3,(H,18,19)/p+1