4-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-[4-(4-fluorophenyl)piperazino]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H29FN3O+ MolecularWeight: 370.483563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O/c23-19-5-7-20(8-6-19)25-12-14-26(15-13-25)21-2-1-11-24(17-21)16-18-3-9-22(27)10-4-18/h3-10,21,27H,1-2,11-17H2/p+1/t21-/m0/s1