2-[2-(trifluoromethylsulfanyl)ethyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[2-(trifluoromethylsulfanyl)ethyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[2-(trifluoromethylsulfanyl)ethyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[2-(trifluoromethylthio)ethyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[2-(trifluoromethylsulfanyl)ethyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[2-(trifluoromethylthio)ethyl]-3H-isoindol-2-ium-1-yl]amine Formula: C11H12F3N2S+ MolecularWeight: 261.28659

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CCSC(F)(F)F)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1CCSC(F)(F)F)N

InChI

InChI=1S/C11H11F3N2S/c12-11(13,14)17-6-5-16-7-8-3-1-2-4-9(8)10(16)15/h1-4,15H,5-7H2/p+1