[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]carbonylphenyl]methylazanium

Systemtic Name: [4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]carbonylphenyl]methylazanium Openeye Name: [4-[3-methyl-5-(trifluoromethyl)pyrazole-1-carbonyl]phenyl]methylammonium CAS Name: [4-[[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]-oxomethyl]phenyl]methylammonium IUPAC Name: [4-[3-methyl-5-(trifluoromethyl)pyrazole-1-carbonyl]phenyl]methylazanium Traditional Name: [4-[3-methyl-5-(trifluoromethyl)pyrazole-1-carbonyl]benzyl]ammonium Formula: C13H13F3N3O+ MolecularWeight: 284.25703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(F)(F)F)C(=O)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC1=NN(C(=C1)C(F)(F)F)C(=O)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C13H12F3N3O/c1-8-6-11(13(14,15)16)19(18-8)12(20)10-4-2-9(7-17)3-5-10/h2-6H,7,17H2,1H3/p+1