N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl]acetamide Formula: C22H21FN3O3+ MolecularWeight: 394.418843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H20FN3O3/c23-16-5-3-15(4-6-16)18-13-25(22-2-1-9-26(18)22)14-21(27)24-17-7-8-19-20(12-17)29-11-10-28-19/h3-8,12-13H,1-2,9-11,14H2/p+1