3-imidazol-1-ylpropyl-[[2-(trifluoromethyloxy)phenyl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[2-(trifluoromethyloxy)phenyl]methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[[2-(trifluoromethoxy)phenyl]methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[[2-(trifluoromethoxy)phenyl]methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[2-(trifluoromethoxy)benzyl]ammonium Formula: C14H17F3N3O+ MolecularWeight: 300.29949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]CCCN2C=CN=C2)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]CCCN2C=CN=C2)OC(F)(F)F

InChI

InChI=1S/C14H16F3N3O/c15-14(16,17)21-13-5-2-1-4-12(13)10-18-6-3-8-20-9-7-19-11-20/h1-2,4-5,7,9,11,18H,3,6,8,10H2/p+1