[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C18H20FN3O3 MolecularWeight: 345.368103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])F

InChI

InChI=1S/C18H20FN3O3/c1-25-17-5-4-14(11-16(17)19)12-20-7-9-21(10-8-20)18(23)15-3-2-6-22(24)13-15/h2-6,11,13H,7-10,12H2,1H3