2-[1-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[1-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-1-ium-3-yl]ethanoate Openeye Name: 2-[1-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidin-1-ium-3-yl]acetate CAS Name: 2-[1-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-1-ium-3-yl]acetate Traditional Name: 2-[1-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]piperidin-1-ium-3-yl]acetate Formula: C26H31FN2O3S2 MolecularWeight: 502.664343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCC[N+]3(CCCC(C3)CC(=O)[O-])CCSC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCC[N+]3(CCCC(C3)CC(=O)[O-])CCSC4=CC=CS4

InChI

InChI=1S/C26H31FN2O3S2/c1-32-20-8-9-24-22(16-20)21(23(27)17-28-24)6-3-11-29(12-14-34-26-7-4-13-33-26)10-2-5-19(18-29)15-25(30)31/h4,7-9,13,16-17,19H,2-3,5-6,10-12,14-15,18H2,1H3