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

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-pyrazinyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyrazin-2-ylmethanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone Formula: C17H20FN4O2+ MolecularWeight: 331.364703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O2/c1-24-16-3-2-13(10-14(16)18)12-21-6-8-22(9-7-21)17(23)15-11-19-4-5-20-15/h2-5,10-11H,6-9,12H2,1H3/p+1