2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C23H29FN3O2+ MolecularWeight: 398.493663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CNC4=CC=CC=C43)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CNC4=CC=CC=C43)F

InChI

InChI=1S/C23H28FN3O2/c1-29-20-7-6-17(22(24)12-20)15-27-10-9-26(16-19(27)8-11-28)14-18-13-25-23-5-3-2-4-21(18)23/h2-7,12-13,19,25,28H,8-11,14-16H2,1H3/p+1/t19-/m0/s1