3-[2,6-bis(chloranyl)phenyl]-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Openeye Name: 3-(2,6-dichlorophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide CAS Name: 3-(2,6-dichlorophenyl)-2-(1-pyridin-1-iumylmethyl)-4-quinazolinone bromide IUPAC Name: 3-(2,6-dichlorophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Traditional Name: 3-(2,6-dichlorophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Formula: C20H14BrCl2N3O MolecularWeight: 463.15466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4Cl)Cl.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4Cl)Cl.[Br-]

InChI

InChI=1S/C20H14Cl2N3O.BrH/c21-15-8-6-9-16(22)19(15)25-18(13-24-11-4-1-5-12-24)23-17-10-3-2-7-14(17)20(25)26;/h1-12H,13H2;1H/q+1;/p-1