(5-chloranyl-1-benzofuran-2-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C21H21ClFN2O3+ MolecularWeight: 403.854443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClFN2O3/c1-27-18-5-3-17(23)11-15(18)13-24-6-8-25(9-7-24)21(26)20-12-14-10-16(22)2-4-19(14)28-20/h2-5,10-12H,6-9,13H2,1H3/p+1