2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C19H20FN4O3+ MolecularWeight: 371.385503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN4O3/c1-27-19-5-2-16(20)10-15(19)13-22-6-8-23(9-7-22)18-4-3-17(24(25)26)11-14(18)12-21/h2-5,10-11H,6-9,13H2,1H3/p+1