(3S)-1-ethyl-3-[4-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-ethyl-3-[4-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-ethyl-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-ethyl-3-[4-(4-fluoroanilino)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-ethyl-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-ethyl-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C17H23FN3O2+ MolecularWeight: 320.381823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)[NH+]2CCC(CC2)NC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=O)C[C@@H](C1=O)[NH+]2CCC(CC2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN3O2/c1-2-21-16(22)11-15(17(21)23)20-9-7-14(8-10-20)19-13-5-3-12(18)4-6-13/h3-6,14-15,19H,2,7-11H2,1H3/p+1/t15-/m0/s1