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

Systemtic Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(3-fluorobenzyl)piperazin-4-ium-2-yl]ethanol Formula: C20H26FN2O+ MolecularWeight: 329.431643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC(=CC=C2)F)CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC(=CC=C2)F)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C20H25FN2O/c21-19-8-4-7-18(13-19)14-22-10-11-23(20(16-22)9-12-24)15-17-5-2-1-3-6-17/h1-8,13,20,24H,9-12,14-16H2/p+1/t20-/m0/s1