N-[(3-methylpyridin-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(3-methylpyridin-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(3-methyl-4-pyridyl)methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(3-methyl-4-pyridinyl)methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(3-methylpyridin-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(3-methyl-4-pyridyl)methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CN=C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H28N4O2/c1-19-16-26-13-9-21(19)17-28-25(30)20-5-7-23(8-6-20)31-24-10-14-29(15-11-24)18-22-4-2-3-12-27-22/h2-9,12-13,16,24H,10-11,14-15,17-18H2,1H3,(H,28,30)/p+1