1-[(3-fluorophenyl)methyl]-4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonyl-piperazin-2-one

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonyl-piperazin-2-one Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one CAS Name: 1-[(3-fluorophenyl)methyl]-4-[oxo-[5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenyl]methyl]-2-piperazinone IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one Traditional Name: 1-(3-fluorobenzyl)-4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one Formula: C20H23FN3O2S+ MolecularWeight: 388.478923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)N3CCN(C(=O)C3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)N3CCN(C(=O)C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C20H22FN3O2S/c21-15-4-1-3-14(11-15)12-23-9-10-24(13-19(23)25)20(26)18-7-6-17(27-18)16-5-2-8-22-16/h1,3-4,6-7,11,16,22H,2,5,8-10,12-13H2/p+1/t16-/m1/s1