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

Systemtic Name: 2-[(2S)-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-fluorobenzyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C22H30FN2O+ MolecularWeight: 357.484803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN2O/c23-21-10-8-20(9-11-21)17-24-14-15-25(22(18-24)12-16-26)13-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,22,26H,4,7,12-18H2/p+1/t22-/m0/s1