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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(4-thianyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C19H30FN2O2S+ MolecularWeight: 369.517103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)C3CCSCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCSCC3)F

InChI

InChI=1S/C19H29FN2O2S/c1-24-18-3-2-15(19(20)12-18)13-21-7-8-22(14-17(21)4-9-23)16-5-10-25-11-6-16/h2-3,12,16-17,23H,4-11,13-14H2,1H3/p+1/t17-/m0/s1