2-[4-[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2-chloro-4,5-difluoro-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(2-chloro-4,5-difluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(2-chloro-4,5-difluoro-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C17H21ClF2N3O2+ MolecularWeight: 372.817346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3Cl)F)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3Cl)F)F

InChI

InChI=1S/C17H20ClF2N3O2/c18-13-10-15(20)14(19)9-12(13)17(25)23-7-5-21(6-8-23)11-16(24)22-3-1-2-4-22/h9-10H,1-8,11H2/p+1