(2R)-2-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-[3-(difluoromethoxy)-4-methoxy-phenyl]-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-[3-(difluoromethoxy)-4-methoxy-phenyl]-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H18F2N3O2+ MolecularWeight: 298.308426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)N2CC[NH2+]CC2)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C#N)N2CC[NH2+]CC2)OC(F)F

InChI

InChI=1S/C14H17F2N3O2/c1-20-12-3-2-10(8-13(12)21-14(15)16)11(9-17)19-6-4-18-5-7-19/h2-3,8,11,14,18H,4-7H2,1H3/p+1/t11-/m0/s1