4-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]butylazanium

Systemtic Name: 4-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]butylazanium Openeye Name: 4-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]butylammonium CAS Name: 4-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]butylammonium IUPAC Name: 4-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]butylazanium Traditional Name: 4-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]butylammonium Formula: C14H17F3N3+ MolecularWeight: 284.30009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2CCCC[NH3+])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2CCCC[NH3+])C(F)(F)F

InChI

InChI=1S/C14H16F3N3/c15-14(16,17)13-11(8-4-5-9-18)12(19-20-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,18H2,(H,19,20)/p+1