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

Systemtic Name: 1-benzofuran-2-yl-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C21H22FN2O3+ MolecularWeight: 369.409383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)F

InChI

InChI=1S/C21H21FN2O3/c1-26-19-7-6-15(12-17(19)22)14-23-8-10-24(11-9-23)21(25)20-13-16-4-2-3-5-18(16)27-20/h2-7,12-13H,8-11,14H2,1H3/p+1