3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol

Systemtic Name: 3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Openeye Name: 3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol CAS Name: 3-[(3S)-3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidin-1-iumyl]-2,2-dimethyl-1-propanol IUPAC Name: 3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethylpropan-1-ol Traditional Name: 3-[(3S)-3-[4-(4-fluorophenyl)piperazino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Formula: C20H33FN3O+ MolecularWeight: 350.493923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC(C1)N2CCN(CC2)C3=CC=C(C=C3)F)CO

Isomeric SMILES

CC(C)(C[NH+]1CCC[C@@H](C1)N2CCN(CC2)C3=CC=C(C=C3)F)CO

InChI

InChI=1S/C20H32FN3O/c1-20(2,16-25)15-22-9-3-4-19(14-22)24-12-10-23(11-13-24)18-7-5-17(21)6-8-18/h5-8,19,25H,3-4,9-16H2,1-2H3/p+1/t19-/m0/s1