2-methanidyl-2-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-2-ium

Systemtic Name: 2-methanidyl-2-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-2-ium Openeye Name: 2-methanidyl-2-methyl-1-[4-(trifluoromethyl)phenyl]isoindolin-2-ium CAS Name: 2-methanidyl-2-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-2-ium IUPAC Name: 2-methanidyl-2-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-2-ium Traditional Name: 2-methanidyl-2-methyl-1-[4-(trifluoromethyl)phenyl]isoindolin-2-ium Formula: C17H16F3N MolecularWeight: 291.31085

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=CC=CC=C2C1C3=CC=C(C=C3)C(F)(F)F)[CH2-]

Isomeric SMILES

C[N+]1(CC2=CC=CC=C2C1C3=CC=C(C=C3)C(F)(F)F)[CH2-]

InChI

InChI=1S/C17H16F3N/c1-21(2)11-13-5-3-4-6-15(13)16(21)12-7-9-14(10-8-12)17(18,19)20/h3-10,16H,1,11H2,2H3