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

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C18H20BrFN3O2+ MolecularWeight: 409.272703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br)F

InChI

InChI=1S/C18H19BrFN3O2/c1-25-17-3-2-13(8-16(17)20)12-22-4-6-23(7-5-22)18(24)14-9-15(19)11-21-10-14/h2-3,8-11H,4-7,12H2,1H3/p+1