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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C19H26FN2O2S+ MolecularWeight: 365.485343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CSC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CSC=C3)F

InChI

InChI=1S/C19H25FN2O2S/c1-24-18-3-2-16(19(20)10-18)12-22-7-6-21(13-17(22)4-8-23)11-15-5-9-25-14-15/h2-3,5,9-10,14,17,23H,4,6-8,11-13H2,1H3/p+1/t17-/m0/s1