2-[(2S)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-fluoro-4-methoxy-phenyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-fluoro-4-methoxy-benzyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C18H30FN2O2+ MolecularWeight: 325.441403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29FN2O2/c1-14(2)11-21-8-7-20(13-16(21)6-9-22)12-15-4-5-17(23-3)10-18(15)19/h4-5,10,14,16,22H,6-9,11-13H2,1-3H3/p+1/t16-/m0/s1