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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC4=CC=CC=C4N3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=CC=CC=C4N3)F

InChI

InChI=1S/C23H28FN3O2/c1-29-21-7-6-18(22(24)13-21)14-27-10-9-26(16-20(27)8-11-28)15-19-12-17-4-2-3-5-23(17)25-19/h2-7,12-13,20,25,28H,8-11,14-16H2,1H3/p+1/t20-/m0/s1