3-(3-chlorophenyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(3-chlorophenyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(3-chlorophenyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(3-chlorophenyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(3-chlorophenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(3-chlorophenyl)-4aH-quinazolin-3-ium-4-one Formula: C14H10ClN2O+ MolecularWeight: 257.695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC=[N+](C2=O)C3=CC(=CC=C3)Cl)C=C1

Isomeric SMILES

C1=CC2C(=NC=[N+](C2=O)C3=CC(=CC=C3)Cl)C=C1

InChI

InChI=1S/C14H10ClN2O/c15-10-4-3-5-11(8-10)17-9-16-13-7-2-1-6-12(13)14(17)18/h1-9,12H/q+1