1-(4-fluorophenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(3S)-1-(2-pyridinylmethyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]piperazin-4-ium Formula: C21H28FN4+ MolecularWeight: 355.472223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H27FN4/c22-18-6-8-20(9-7-18)25-12-14-26(15-13-25)21-5-3-11-24(17-21)16-19-4-1-2-10-23-19/h1-2,4,6-10,21H,3,5,11-17H2/p+1/t21-/m0/s1