diethyl-[3-[[4-(trifluoromethylsulfanyl)phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: diethyl-[3-[[4-(trifluoromethylsulfanyl)phenyl]methylazaniumyl]propyl]azanium Openeye Name: diethyl-[3-[[4-(trifluoromethylsulfanyl)phenyl]methylammonio]propyl]ammonium CAS Name: diethyl-[3-[[4-(trifluoromethylthio)phenyl]methylammonio]propyl]ammonium IUPAC Name: diethyl-[3-[[4-(trifluoromethylsulfanyl)phenyl]methylazaniumyl]propyl]azanium Traditional Name: diethyl-[3-[[4-(trifluoromethylthio)benzyl]ammonio]propyl]ammonium Formula: C15H25F3N2S+2 MolecularWeight: 322.43261

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C15H23F3N2S/c1-3-20(4-2)11-5-10-19-12-13-6-8-14(9-7-13)21-15(16,17)18/h6-9,19H,3-5,10-12H2,1-2H3/p+2