ethyl 4-[(2R)-1-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[2-(difluoromethoxy)anilino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[2-(difluoromethoxy)anilino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24F2N3O4+ MolecularWeight: 372.386966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=CC=CC=C2OC(F)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=CC=C2OC(F)F

InChI

InChI=1S/C17H23F2N3O4/c1-3-25-17(24)22-10-8-21(9-11-22)12(2)15(23)20-13-6-4-5-7-14(13)26-16(18)19/h4-7,12,16H,3,8-11H2,1-2H3,(H,20,23)/p+1/t12-/m1/s1