3-ethoxy-N-(3-oxidanylpyridin-1-ium-2-yl)-4-(pyridin-4-ylmethoxy)benzamide

Systemtic Name: 3-ethoxy-N-(3-oxidanylpyridin-1-ium-2-yl)-4-(pyridin-4-ylmethoxy)benzamide Openeye Name: 3-ethoxy-N-(3-hydroxypyridin-1-ium-2-yl)-4-(4-pyridylmethoxy)benzamide CAS Name: 3-ethoxy-N-(3-hydroxy-2-pyridin-1-iumyl)-4-(pyridin-4-ylmethoxy)benzamide IUPAC Name: 3-ethoxy-N-(3-hydroxypyridin-1-ium-2-yl)-4-(pyridin-4-ylmethoxy)benzamide Traditional Name: 3-ethoxy-N-(3-hydroxypyridin-1-ium-2-yl)-4-(4-pyridylmethoxy)benzamide Formula: C20H20N3O4+ MolecularWeight: 366.3905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=[NH+]2)O)OCC3=CC=NC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=[NH+]2)O)OCC3=CC=NC=C3

InChI

InChI=1S/C20H19N3O4/c1-2-26-18-12-15(20(25)23-19-16(24)4-3-9-22-19)5-6-17(18)27-13-14-7-10-21-11-8-14/h3-12,24H,2,13H2,1H3,(H,22,23,25)/p+1