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

Systemtic Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-yl-pyridin-1-ium-2-amine Openeye Name: N-isopropyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine CAS Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-yl-2-pyridin-1-iumamine IUPAC Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-1-ium-2-amine Traditional Name: isopropyl-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]amine Formula: C17H19N4O2+ MolecularWeight: 311.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=[NH+]C=C(C=C1)C2=NC(=NO2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=[NH+]C=C(C=C1)C2=NC(=NO2)COC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2/c1-12(2)19-15-9-8-13(10-18-15)17-20-16(21-23-17)11-22-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,18,19)/p+1