(4-bromanylthiophen-2-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (4-bromanylthiophen-2-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (4-bromo-2-thienyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (4-bromo-2-thiophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (4-bromothiophen-2-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (4-bromo-2-thienyl)methyl-[3-(trifluoromethyl)benzyl]ammonium Formula: C13H12BrF3NS+ MolecularWeight: 351.20529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C[NH2+]CC2=CC(=CS2)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C[NH2+]CC2=CC(=CS2)Br

InChI

InChI=1S/C13H11BrF3NS/c14-11-5-12(19-8-11)7-18-6-9-2-1-3-10(4-9)13(15,16)17/h1-5,8,18H,6-7H2/p+1