2-[4-[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H25F2N4O6+ MolecularWeight: 443.421806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C19H24F2N4O6/c1-30-15-10-13(14(25(28)29)11-16(15)31-19(20)21)18(27)24-8-6-22(7-9-24)12-17(26)23-4-2-3-5-23/h10-11,19H,2-9,12H2,1H3/p+1