1-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one CAS Name: 1-(3-chloro-4-fluorophenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-pyrrolidinone IUPAC Name: 1-(3-chloro-4-fluorophenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-pyrrolidone Formula: C17H22ClFN3O2+ MolecularWeight: 354.826883

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H21ClFN3O2/c1-2-20-5-7-21(8-6-20)17(24)12-9-16(23)22(11-12)13-3-4-15(19)14(18)10-13/h3-4,10,12H,2,5-9,11H2,1H3/p+1