2-[[(E)-(1-propylpyridin-1-ium-4-yl)methylideneamino]oxymethyl]isoindole-1,3-dione bromide

Systemtic Name: 2-[[(E)-(1-propylpyridin-1-ium-4-yl)methylideneamino]oxymethyl]isoindole-1,3-dione bromide Openeye Name: 2-[[(E)-(1-propylpyridin-1-ium-4-yl)methyleneamino]oxymethyl]isoindoline-1,3-dione bromide CAS Name: 2-[[(E)-(1-propyl-4-pyridin-1-iumyl)methylideneamino]oxymethyl]isoindole-1,3-dione bromide IUPAC Name: 2-[[(E)-(1-propylpyridin-1-ium-4-yl)methylideneamino]oxymethyl]isoindole-1,3-dione bromide Traditional Name: 2-[[(E)-(1-propylpyridin-1-ium-4-yl)methyleneamino]oxymethyl]isoindoline-1,3-quinone bromide Formula: C18H18BrN3O3 MolecularWeight: 404.25782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C=NOCN2C(=O)C3=CC=CC=C3C2=O.[Br-]

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)/C=N/OCN2C(=O)C3=CC=CC=C3C2=O.[Br-]

InChI

InChI=1S/C18H18N3O3.BrH/c1-2-9-20-10-7-14(8-11-20)12-19-24-13-21-17(22)15-5-3-4-6-16(15)18(21)23;/h3-8,10-12H,2,9,13H2,1H3;1H/q+1;/p-1/b19-12+;