2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[4-(difluoromethylsulfanyl)phenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-(difluoromethylthio)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[4-(difluoromethylsulfanyl)phenyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[4-(difluoromethylthio)phenyl]-3H-isoindol-2-ium-1-yl]amine Formula: C15H13F2N2S+ MolecularWeight: 291.338926

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)SC(F)F)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)SC(F)F)N

InChI

InChI=1S/C15H12F2N2S/c16-15(17)20-12-7-5-11(6-8-12)19-9-10-3-1-2-4-13(10)14(19)18/h1-8,15,18H,9H2/p+1