2-methyl-4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4H-isoquinolin-2-ium-1-one

Systemtic Name: 2-methyl-4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4H-isoquinolin-2-ium-1-one Openeye Name: 2-methyl-4-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]-4H-isoquinolin-2-ium-1-one CAS Name: 2-methyl-4-[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]-4H-isoquinolin-2-ium-1-one IUPAC Name: 2-methyl-4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-4H-isoquinolin-2-ium-1-one Traditional Name: 2-methyl-4-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]-4H-isoquinolin-2-ium-1-one Formula: C17H13N4O2+ MolecularWeight: 305.31072

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(C2=CC=CC=C2C1=O)C3=NN=C(O3)C4=CC=CC=N4

Isomeric SMILES

C[N+]1=CC(C2=CC=CC=C2C1=O)C3=NN=C(O3)C4=CC=CC=N4

InChI

InChI=1S/C17H13N4O2/c1-21-10-13(11-6-2-3-7-12(11)17(21)22)15-19-20-16(23-15)14-8-4-5-9-18-14/h2-10,13H,1H3/q+1