4-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[4-(difluoromethoxy)-3-methoxy-benzyl]piperazin-4-ium-2-one Formula: C13H17F2N2O3+ MolecularWeight: 287.282486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2)OC(F)F

InChI

InChI=1S/C13H16F2N2O3/c1-19-11-6-9(2-3-10(11)20-13(14)15)7-17-5-4-16-12(18)8-17/h2-3,6,13H,4-5,7-8H2,1H3,(H,16,18)/p+1