3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one

Systemtic Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one Openeye Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one CAS Name: 3-phenyl-2-(1-pyridin-1-iumylmethyl)-4-quinazolinone IUPAC Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one Traditional Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one Formula: C20H16N3O+ MolecularWeight: 314.36054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[N+]4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[N+]4=CC=CC=C4

InChI

InChI=1S/C20H16N3O/c24-20-17-11-5-6-12-18(17)21-19(15-22-13-7-2-8-14-22)23(20)16-9-3-1-4-10-16/h1-14H,15H2/q+1