4-ethyl-N-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-ethyl-N-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-ethyl-N-[(3S)-1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-ethyl-N-[(3S)-1-(3-fluorophenyl)-5-oxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-ethyl-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-ethyl-N-[(3S)-1-(3-fluorophenyl)-5-keto-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C17H24FN4O2+ MolecularWeight: 335.396463

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC(=CC=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C17H23FN4O2/c1-2-20-6-8-21(9-7-20)17(24)19-14-11-16(23)22(12-14)15-5-3-4-13(18)10-15/h3-5,10,14H,2,6-9,11-12H2,1H3,(H,19,24)/p+1/t14-/m0/s1