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

Systemtic Name: dimethyl-[3-[[4-(trifluoromethylsulfanyl)phenyl]methylazaniumyl]propyl]azanium Openeye Name: dimethyl-[3-[[4-(trifluoromethylsulfanyl)phenyl]methylammonio]propyl]ammonium CAS Name: dimethyl-[3-[[4-(trifluoromethylthio)phenyl]methylammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(trifluoromethylsulfanyl)phenyl]methylazaniumyl]propyl]azanium Traditional Name: dimethyl-[3-[[4-(trifluoromethylthio)benzyl]ammonio]propyl]ammonium Formula: C13H21F3N2S+2 MolecularWeight: 294.37945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19F3N2S/c1-18(2)9-3-8-17-10-11-4-6-12(7-5-11)19-13(14,15)16/h4-7,17H,3,8-10H2,1-2H3/p+2