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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C23H32FN2O2+ MolecularWeight: 387.510783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CCCC3=CC=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CCCC3=CC=CC=C3)F

InChI

InChI=1S/C23H31FN2O2/c1-28-22-10-9-20(23(24)16-22)17-26-14-13-25(18-21(26)11-15-27)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,21,27H,5,8,11-15,17-18H2,1H3/p+1/t21-/m0/s1