N-(4-fluorophenyl)-2-[4-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN5O2+ MolecularWeight: 412.480483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5O2/c23-18-4-6-19(7-5-18)25-21(29)16-26-11-13-27(14-12-26)20-8-3-17(15-24-20)22(30)28-9-1-2-10-28/h3-8,15H,1-2,9-14,16H2,(H,25,29)/p+1