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

Systemtic Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Openeye Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide CAS Name: 3-phenyl-2-(1-pyridin-1-iumylmethyl)-4-quinazolinone bromide IUPAC Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Traditional Name: 3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Formula: C20H16BrN3O MolecularWeight: 394.26454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N3O.BrH/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;1H/q+1;/p-1