5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-1-ium-2-amine

Systemtic Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-1-ium-2-amine Openeye Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyridylmethyl)pyridin-1-ium-2-amine CAS Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)-2-pyridin-1-iumamine IUPAC Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-1-ium-2-amine Traditional Name: [5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-(4-pyridylmethyl)amine Formula: C20H18N5O2+ MolecularWeight: 360.38922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NOC(=N2)C3=C[NH+]=C(C=C3)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NOC(=N2)C3=C[NH+]=C(C=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C20H17N5O2/c1-2-4-17(5-3-1)26-14-19-24-20(27-25-19)16-6-7-18(23-13-16)22-12-15-8-10-21-11-9-15/h1-11,13H,12,14H2,(H,22,23)/p+1