(3R)-4-[(3-fluorophenyl)methyl]-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(3-fluorophenyl)methyl]-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(3-fluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(3-fluorophenyl)methyl]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(3-fluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(3-fluorobenzyl)-3-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-2-one Formula: C17H23FN3O2+ MolecularWeight: 320.381823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)F

InChI

InChI=1S/C17H22FN3O2/c18-14-5-3-4-13(10-14)12-21-9-6-19-17(23)15(21)11-16(22)20-7-1-2-8-20/h3-5,10,15H,1-2,6-9,11-12H2,(H,19,23)/p+1/t15-/m1/s1