2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-fluoro-5-methoxy-phenyl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-fluoro-5-methoxy-benzyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C22H30FN2O2+ MolecularWeight: 373.484203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29FN2O2/c1-27-21-7-8-22(23)19(15-21)16-24-12-13-25(20(17-24)10-14-26)11-9-18-5-3-2-4-6-18/h2-8,15,20,26H,9-14,16-17H2,1H3/p+1/t20-/m0/s1