1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea

Systemtic Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea Openeye Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea CAS Name: 1-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea IUPAC Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea Traditional Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea Formula: C15H21F3N3OS+ MolecularWeight: 348.40695

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C15H20F3N3OS/c1-2-21-9-3-4-12(21)10-19-14(23)20-11-5-7-13(8-6-11)22-15(16,17)18/h5-8,12H,2-4,9-10H2,1H3,(H2,19,20,23)/p+1/t12-/m1/s1