4-bromanyl-N-(4-oxidanylidene-2-pyridin-1-ium-2-yl-1,2-dihydroquinazolin-3-yl)benzamide

Systemtic Name: 4-bromanyl-N-(4-oxidanylidene-2-pyridin-1-ium-2-yl-1,2-dihydroquinazolin-3-yl)benzamide Openeye Name: 4-bromo-N-(4-oxo-2-pyridin-1-ium-2-yl-1,2-dihydroquinazolin-3-yl)benzamide CAS Name: 4-bromo-N-[4-oxo-2-(2-pyridin-1-iumyl)-1,2-dihydroquinazolin-3-yl]benzamide IUPAC Name: 4-bromo-N-(4-oxo-2-pyridin-1-ium-2-yl-1,2-dihydroquinazolin-3-yl)benzamide Traditional Name: 4-bromo-N-(4-keto-2-pyridin-1-ium-2-yl-1,2-dihydroquinazolin-3-yl)benzamide Formula: C20H16BrN4O2+ MolecularWeight: 424.27064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CC=[NH+]3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CC=[NH+]3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4O2/c21-14-10-8-13(9-11-14)19(26)24-25-18(17-7-3-4-12-22-17)23-16-6-2-1-5-15(16)20(25)27/h1-12,18,23H,(H,24,26)/p+1