N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C26H32N5O2+ MolecularWeight: 446.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=NC(=N1)CCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)C

InChI

InChI=1S/C26H31N5O2/c1-19-17-20(2)30-25(29-19)10-14-28-26(32)21-6-8-23(9-7-21)33-24-11-15-31(16-12-24)18-22-5-3-4-13-27-22/h3-9,13,17,24H,10-12,14-16,18H2,1-2H3,(H,28,32)/p+1