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

Systemtic Name: (2-fluoranyl-4-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (2-fluoro-4-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (2-fluoro-4-methoxyphenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-fluoro-4-methoxyphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (2-fluoro-4-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C17H19FN3O2+ MolecularWeight: 316.350063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O2/c1-23-14-2-3-15(16(18)12-14)17(22)21-10-8-20(9-11-21)13-4-6-19-7-5-13/h2-7,12H,8-11H2,1H3/p+1