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

Systemtic Name: 6-chloranyl-3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Openeye Name: 6-chloro-3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide CAS Name: 6-chloro-3-(4-nitrophenyl)-2-(1-pyridin-1-iumylmethyl)-4-quinazolinone bromide IUPAC Name: 6-chloro-3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Traditional Name: 6-chloro-3-(4-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one bromide Formula: C20H14BrClN4O3 MolecularWeight: 473.70716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H14ClN4O3.BrH/c21-14-4-9-18-17(12-14)20(26)24(15-5-7-16(8-6-15)25(27)28)19(22-18)13-23-10-2-1-3-11-23;/h1-12H,13H2;1H/q+1;/p-1