2-[3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-yl]amine Formula: C15H12F3N2+ MolecularWeight: 277.26439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N2/c16-15(17,18)11-5-3-6-12(8-11)20-9-10-4-1-2-7-13(10)14(20)19/h1-8,19H,9H2/p+1