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

Systemtic Name: 2-[(2S)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-chloro-4-fluoro-phenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-chloro-4-fluoro-benzyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C21H27ClFN2O+ MolecularWeight: 377.903283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H26ClFN2O/c22-21-14-19(23)7-6-18(21)15-24-11-12-25(20(16-24)9-13-26)10-8-17-4-2-1-3-5-17/h1-7,14,20,26H,8-13,15-16H2/p+1/t20-/m0/s1