3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-6-methoxy-quinazolin-4-one

Systemtic Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-6-methoxy-quinazolin-4-one Openeye Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-6-methoxy-quinazolin-4-one CAS Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-6-methoxy-4-quinazolinone IUPAC Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-6-methoxyquinazolin-4-one Traditional Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-6-methoxy-quinazolin-4-one Formula: C14H15N4O2+ MolecularWeight: 271.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CN(C2=O)CCC3=C[NH+]=CN3

Isomeric SMILES

COC1=CC2=C(C=C1)N=CN(C2=O)CCC3=C[NH+]=CN3

InChI

InChI=1S/C14H14N4O2/c1-20-11-2-3-13-12(6-11)14(19)18(9-17-13)5-4-10-7-15-8-16-10/h2-3,6-9H,4-5H2,1H3,(H,15,16)/p+1