ethyl 4-fluoranyl-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C17H21FNO3S+ MolecularWeight: 338.416943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCCC(C3)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C17H20FNO3S/c1-2-22-17(21)16-12(10-19-8-4-5-11(20)9-19)15-13(18)6-3-7-14(15)23-16/h3,6-7,11,20H,2,4-5,8-10H2,1H3/p+1/t11-/m1/s1