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

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[3-(trifluoromethyl)benzyl]-3H-isoindol-2-ium-1-yl]amine Formula: C16H14F3N2+ MolecularWeight: 291.29097

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CC3=CC(=CC=C3)C(F)(F)F)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1CC3=CC(=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C16H13F3N2/c17-16(18,19)13-6-3-4-11(8-13)9-21-10-12-5-1-2-7-14(12)15(21)20/h1-8,20H,9-10H2/p+1