2-(3-fluoranyl-4-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)F

InChI

InChI=1S/C18H20FN3O2/c1-24-17-3-2-14(12-16(17)19)13-18(23)22-10-8-21(9-11-22)15-4-6-20-7-5-15/h2-7,12H,8-11,13H2,1H3/p+1