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

Systemtic Name: 1-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine Openeye Name: 1-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine CAS Name: 1-[(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-4-(4-fluorophenyl)piperazine IUPAC Name: 1-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine Traditional Name: 1-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine Formula: C24H29FN3O+ MolecularWeight: 394.504963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3O2)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3O2)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H28FN3O/c25-20-7-9-21(10-8-20)27-12-14-28(15-13-27)22-5-3-11-26(17-22)18-23-16-19-4-1-2-6-24(19)29-23/h1-2,4,6-10,16,22H,3,5,11-15,17-18H2/p+1/t22-/m0/s1