2-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]isoindoline-1,3-quinone Formula: C22H21N3O2+2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O2/c1-23-13-7-17(8-14-23)18-9-15-24(16-10-18)11-4-12-25-21(26)19-5-2-3-6-20(19)22(25)27/h2-3,5-10,13-16H,4,11-12H2,1H3/q+2