N-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: N-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O3/c1-28-19-8-7-18(22)13-17(19)15-24-9-11-25(12-10-24)20(26)14-23-21(27)16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)/p+1