N-(3-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26FN4O2S+ MolecularWeight: 381.488043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H25FN4O2S/c19-14-3-1-4-15(11-14)21-17(24)13-22-6-8-23(9-7-22)18(26)20-12-16-5-2-10-25-16/h1,3-4,11,16H,2,5-10,12-13H2,(H,20,26)(H,21,24)/p+1/t16-/m1/s1