N-[[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)ethanamide

Systemtic Name: N-[[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[[(3R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[[(3R)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)CNC(=O)COC3=CC=CC=C3OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)CNC(=O)COC3=CC=CC=C3OC

InChI

InChI=1S/C22H28N2O4S/c1-16(25)21-10-18(15-29-21)13-24-9-5-6-17(12-24)11-23-22(26)14-28-20-8-4-3-7-19(20)27-2/h3-4,7-8,10,15,17H,5-6,9,11-14H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1