1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)propan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)propan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-(4-fluorophenyl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)propan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)propan-1-one Formula: C22H26FN2O2+ MolecularWeight: 369.452443

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCC4=CC=C(C=C4)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN2O2/c23-20-5-1-17(2-6-20)4-8-22(26)25-12-10-24(11-13-25)16-18-3-7-21-19(15-18)9-14-27-21/h1-3,5-7,15H,4,8-14,16H2/p+1