[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(5-methoxy-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone Formula: C23H26FN2O4+ MolecularWeight: 413.461943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H25FN2O4/c1-15-18-13-17(28-2)5-7-20(18)30-22(15)23(27)26-10-8-25(9-11-26)14-16-4-6-21(29-3)19(24)12-16/h4-7,12-13H,8-11,14H2,1-3H3/p+1