2-(2-chloranyl-6-fluoranyl-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-chloro-6-fluorophenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-6-fluorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C17H18ClFN3O+ MolecularWeight: 334.795723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H17ClFN3O/c18-15-2-1-3-16(19)14(15)12-17(23)22-10-8-21(9-11-22)13-4-6-20-7-5-13/h1-7H,8-12H2/p+1