3-(phenylmethyl)-3-pyridin-1-ium-1-yl-1H-quinoline-2,4-dione chloride

Systemtic Name: 3-(phenylmethyl)-3-pyridin-1-ium-1-yl-1H-quinoline-2,4-dione chloride Openeye Name: 3-benzyl-3-pyridin-1-ium-1-yl-1H-quinoline-2,4-dione chloride CAS Name: 3-(phenylmethyl)-3-(1-pyridin-1-iumyl)-1H-quinoline-2,4-dione chloride IUPAC Name: 3-benzyl-3-pyridin-1-ium-1-yl-1H-quinoline-2,4-dione chloride Traditional Name: 3-benzyl-3-pyridin-1-ium-1-yl-1H-quinoline-2,4-quinone chloride Formula: C21H17ClN2O2 MolecularWeight: 364.82488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C(=O)C3=CC=CC=C3NC2=O)[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2(C(=O)C3=CC=CC=C3NC2=O)[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H16N2O2.ClH/c24-19-17-11-5-6-12-18(17)22-20(25)21(19,23-13-7-2-8-14-23)15-16-9-3-1-4-10-16;/h1-14H,15H2;1H