(E)-3-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylate Formula: C14H17FN2O2 MolecularWeight: 264.295383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=CC(=O)[O-])F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)[O-])F

InChI

InChI=1S/C14H17FN2O2/c1-16-6-8-17(9-7-16)13-4-2-11(10-12(13)15)3-5-14(18)19/h2-5,10H,6-9H2,1H3,(H,18,19)/b5-3+