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

Systemtic Name: [4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]carbonylphenyl]methylazanium Openeye Name: [4-[5-cyclopropyl-3-(trifluoromethyl)pyrazole-1-carbonyl]phenyl]methylammonium CAS Name: [4-[[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-oxomethyl]phenyl]methylammonium IUPAC Name: [4-[5-cyclopropyl-3-(trifluoromethyl)pyrazole-1-carbonyl]phenyl]methylazanium Traditional Name: [4-[5-cyclopropyl-3-(trifluoromethyl)pyrazole-1-carbonyl]benzyl]ammonium Formula: C15H15F3N3O+ MolecularWeight: 310.29431

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2C(=O)C3=CC=C(C=C3)C[NH3+])C(F)(F)F

Isomeric SMILES

C1CC1C2=CC(=NN2C(=O)C3=CC=C(C=C3)C[NH3+])C(F)(F)F

InChI

InChI=1S/C15H14F3N3O/c16-15(17,18)13-7-12(10-5-6-10)21(20-13)14(22)11-3-1-9(8-19)2-4-11/h1-4,7,10H,5-6,8,19H2/p+1