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

Systemtic Name: 3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Openeye Name: 3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide CAS Name: 3-(4-nitrophenyl)-2-(1-pyridin-1-iumylmethyl)-4-quinazolinone bromide IUPAC Name: 3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Traditional Name: 3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H15N4O3.BrH/c25-20-17-6-2-3-7-18(17)21-19(14-22-12-4-1-5-13-22)23(20)15-8-10-16(11-9-15)24(26)27;/h1-13H,14H2;1H/q+1;/p-1