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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone Formula: C21H24FN2O2+ MolecularWeight: 355.425863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)F

InChI

InChI=1S/C21H23FN2O2/c1-15-2-4-18(13-19(15)22)21(25)24-9-7-23(8-10-24)14-16-3-5-20-17(12-16)6-11-26-20/h2-5,12-13H,6-11,14H2,1H3/p+1