3-oxidanidyl-2-pyridin-1-ium-4-yl-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-oxidanidyl-2-pyridin-1-ium-4-yl-1,2-dihydroquinazolin-4-one Openeye Name: 3-oxido-2-pyridin-1-ium-4-yl-1,2-dihydroquinazolin-4-one CAS Name: 3-oxido-2-(4-pyridin-1-iumyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-oxido-2-pyridin-1-ium-4-yl-1,2-dihydroquinazolin-4-one Traditional Name: 3-oxido-2-pyridin-1-ium-4-yl-1,2-dihydroquinazolin-4-one Formula: C13H11N3O2 MolecularWeight: 241.24534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=[NH+]C=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=[NH+]C=C3)[O-]

InChI

InChI=1S/C13H10N3O2/c17-13-10-3-1-2-4-11(10)15-12(16(13)18)9-5-7-14-8-6-9/h1-8,12,15H/q-1/p+1