2-[(2S)-4-[(3-fluorophenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-fluorobenzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C16H26FN2O+ MolecularWeight: 281.388843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H25FN2O/c1-13(2)19-8-7-18(12-16(19)6-9-20)11-14-4-3-5-15(17)10-14/h3-5,10,13,16,20H,6-9,11-12H2,1-2H3/p+1/t16-/m0/s1