5-[1-(4-fluorophenyl)-5-methyl-1,2,3-triazol-4-yl]-2-methyl-2-propyl-3H-isoindol-2-ium-1-one ethanoate

Systemtic Name: 5-[1-(4-fluorophenyl)-5-methyl-1,2,3-triazol-4-yl]-2-methyl-2-propyl-3H-isoindol-2-ium-1-one ethanoate Openeye Name: 5-[1-(4-fluorophenyl)-5-methyl-triazol-4-yl]-2-methyl-2-propyl-isoindolin-2-ium-1-one acetate CAS Name: 5-[1-(4-fluorophenyl)-5-methyl-4-triazolyl]-2-methyl-2-propyl-3H-isoindol-2-ium-1-one acetate IUPAC Name: 5-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-methyl-2-propyl-3H-isoindol-2-ium-1-one acetate Traditional Name: 5-[1-(4-fluorophenyl)-5-methyl-triazol-4-yl]-2-methyl-2-propyl-isoindolin-2-ium-1-one acetate Formula: C23H25FN4O3 MolecularWeight: 424.468003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC2=C(C1=O)C=CC(=C2)C3=C(N(N=N3)C4=CC=C(C=C4)F)C)C.CC(=O)[O-]

Isomeric SMILES

CCC[N+]1(CC2=C(C1=O)C=CC(=C2)C3=C(N(N=N3)C4=CC=C(C=C4)F)C)C.CC(=O)[O-]

InChI

InChI=1S/C21H22FN4O.C2H4O2/c1-4-11-26(3)13-16-12-15(5-10-19(16)21(26)27)20-14(2)25(24-23-20)18-8-6-17(22)7-9-18;1-2(3)4/h5-10,12H,4,11,13H2,1-3H3;1H3,(H,3,4)/q+1;/p-1