4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-isoindolin-2-ium-2-yl-butan-1-one CAS Name: 4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-isoindolin-2-ium-2-yl-butan-1-one Formula: C18H19FNO+ MolecularWeight: 284.347963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[NH+]1CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C2=CC=CC=C2C[NH+]1CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FNO/c19-17-9-7-14(8-10-17)18(21)6-3-11-20-12-15-4-1-2-5-16(15)13-20/h1-2,4-5,7-10H,3,6,11-13H2/p+1