[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoranyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoro-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(7-fluoro-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(7-fluoro-3-methyl-benzofuran-2-yl)methanone Formula: C22H23F2N2O3+ MolecularWeight: 401.426426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H22F2N2O3/c1-14-16-4-3-5-17(23)21(16)29-20(14)22(27)26-10-8-25(9-11-26)13-15-6-7-19(28-2)18(24)12-15/h3-7,12H,8-11,13H2,1-2H3/p+1