1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C19H20F4N3O3+ MolecularWeight: 414.374013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])F

InChI

InChI=1S/C19H19F4N3O3/c1-29-18-5-2-13(10-15(18)20)12-24-6-8-25(9-7-24)16-4-3-14(19(21,22)23)11-17(16)26(27)28/h2-5,10-11H,6-9,12H2,1H3/p+1