2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-fluoro-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-fluoroquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(8-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=CC=C3F)C=C2)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=C(C=CC=C3F)C=C2)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H24FN3OS/c22-20-3-1-2-17-4-5-18(23-21(17)20)13-24-8-9-25(19(14-24)6-10-26)12-16-7-11-27-15-16/h1-5,7,11,15,19,26H,6,8-10,12-14H2/p+1/t19-/m0/s1