2-[(2S)-4-[(6-fluoranylquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(6-fluoranylquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-fluoro-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-fluoroquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H25FN3OS+ MolecularWeight: 386.506103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NC3=C(C=C2)C=C(C=C3)F)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=C(C=C2)C=C(C=C3)F)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H24FN3OS/c22-18-2-4-21-17(11-18)1-3-19(23-21)13-24-7-8-25(20(14-24)5-9-26)12-16-6-10-27-15-16/h1-4,6,10-11,15,20,26H,5,7-9,12-14H2/p+1/t20-/m0/s1