(6-chloranylpyridin-3-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranylpyridin-3-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (6-chloro-3-pyridyl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (6-chloro-3-pyridinyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloropyridin-3-yl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (6-chloro-3-pyridyl)-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C18H20ClFN3O2+ MolecularWeight: 364.821703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3O2/c1-25-16-4-3-15(20)10-14(16)12-22-6-8-23(9-7-22)18(24)13-2-5-17(19)21-11-13/h2-5,10-11H,6-9,12H2,1H3/p+1