3-[1-[[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide

Systemtic Name: 3-[1-[[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: 3-[1-[[3-(hydroxymethyl)-4-isopropoxy-phenyl]methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide CAS Name: 3-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-piperidin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: 3-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: 3-[1-(4-isopropoxy-3-methylol-benzyl)piperidin-1-ium-4-yl]-N-(3-methoxyphenyl)propionamide Formula: C26H37N2O4+ MolecularWeight: 441.58298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=CC=C3)OC)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=CC=C3)OC)CO

InChI

InChI=1S/C26H36N2O4/c1-19(2)32-25-9-7-21(15-22(25)18-29)17-28-13-11-20(12-14-28)8-10-26(30)27-23-5-4-6-24(16-23)31-3/h4-7,9,15-16,19-20,29H,8,10-14,17-18H2,1-3H3,(H,27,30)/p+1