N-[[7-fluoranyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[[7-fluoranyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide Openeye Name: N-[[7-fluoro-2-(4-hydroxy-1-piperidyl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide CAS Name: N-[[7-fluoro-2-(4-hydroxy-1-piperidinyl)-3-quinolin-1-iumyl]methyl]-N-[(4-methoxyphenyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[[7-fluoro-2-(4-hydroxypiperidin-1-yl)quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide Traditional Name: N-[[7-fluoro-2-(4-hydroxypiperidino)quinolin-1-ium-3-yl]methyl]-N-p-anisyl-thiophene-2-carboxamide Formula: C28H29FN3O3S+ MolecularWeight: 506.611563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=C([NH+]=C3C=C(C=CC3=C2)F)N4CCC(CC4)O)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=C([NH+]=C3C=C(C=CC3=C2)F)N4CCC(CC4)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H28FN3O3S/c1-35-24-8-4-19(5-9-24)17-32(28(34)26-3-2-14-36-26)18-21-15-20-6-7-22(29)16-25(20)30-27(21)31-12-10-23(33)11-13-31/h2-9,14-16,23,33H,10-13,17-18H2,1H3/p+1