N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide CAS Name: N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)-1-piperazinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazino]pyridin-1-ium-3-carboxamide Formula: C22H21ClFN4O+ MolecularWeight: 411.879743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C=CC=[NH+]3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C=CC=[NH+]3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClFN4O/c23-16-7-9-17(10-8-16)26-22(29)18-4-3-11-25-21(18)28-14-12-27(13-15-28)20-6-2-1-5-19(20)24/h1-11H,12-15H2,(H,26,29)/p+1