(3R)-1-(4-fluorophenyl)-5-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(4-fluorophenyl)-5-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide CAS Name: (3R)-1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide Traditional Name: (3R)-1-(4-fluorophenyl)-5-keto-N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]pyrrolidine-3-carboxamide Formula: C22H25FN5O3+ MolecularWeight: 426.464003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)[C@@H]3CC(=O)N(C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN5O3/c23-17-4-6-18(7-5-17)28-15-16(13-20(28)29)22(31)25-14-21(30)27-11-9-26(10-12-27)19-3-1-2-8-24-19/h1-8,16H,9-15H2,(H,25,31)/p+1/t16-/m1/s1