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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CCC3=CC=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CCC3=CC=CC=C3)F

InChI

InChI=1S/C22H29FN2O2/c1-27-21-8-7-19(22(23)15-21)16-25-13-12-24(17-20(25)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