1-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C25H25FN4O+2 MolecularWeight: 416.490603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H23FN4O/c26-19-10-8-18(9-11-19)25-24(20-5-1-2-6-21(20)28-25)22(31)17-29-13-15-30(16-14-29)23-7-3-4-12-27-23/h1-12,28H,13-17H2/p+2