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

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C20H27F2N4O6+ MolecularWeight: 457.448386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C20H26F2N4O6/c1-31-16-11-14(15(26(29)30)12-17(16)32-20(21)22)19(28)25-9-7-23(8-10-25)13-18(27)24-5-3-2-4-6-24/h11-12,20H,2-10,13H2,1H3/p+1