1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine

Systemtic Name: 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Openeye Name: 1-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine CAS Name: 1-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]-4-(2-fluorophenyl)piperazine IUPAC Name: 1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Traditional Name: 1-[(3S)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Formula: C24H31FN3O+ MolecularWeight: 396.520843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C24H30FN3O/c25-22-5-1-2-6-23(22)28-13-11-27(12-14-28)21-4-3-10-26(18-21)17-19-7-8-24-20(16-19)9-15-29-24/h1-2,5-8,16,21H,3-4,9-15,17-18H2/p+1/t21-/m0/s1