3-imidazol-1-ylpropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[4-(trifluoromethylthio)benzyl]ammonium Formula: C14H17F3N3S+ MolecularWeight: 316.36509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCCN2C=CN=C2)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCCN2C=CN=C2)SC(F)(F)F

InChI

InChI=1S/C14H16F3N3S/c15-14(16,17)21-13-4-2-12(3-5-13)10-18-6-1-8-20-9-7-19-11-20/h2-5,7,9,11,18H,1,6,8,10H2/p+1