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

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-(3-furylmethyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-(3-furfuryl)piperidin-1-ium-3-yl]piperazine Formula: C20H27FN3O+ MolecularWeight: 344.446283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC=C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC=C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H26FN3O/c21-19-5-1-2-6-20(19)24-11-9-23(10-12-24)18-4-3-8-22(15-18)14-17-7-13-25-16-17/h1-2,5-7,13,16,18H,3-4,8-12,14-15H2/p+1/t18-/m0/s1