2-[[1,6-dimethyl-2-oxidanylidene-4-(2-pyridin-1-ium-1-ylethanoyl)pyridin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1,6-dimethyl-2-oxidanylidene-4-(2-pyridin-1-ium-1-ylethanoyl)pyridin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1,6-dimethyl-2-oxo-4-(2-pyridin-1-ium-1-ylacetyl)-3-pyridyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1,6-dimethyl-2-oxo-4-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-3-pyridinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1,6-dimethyl-2-oxo-4-(2-pyridin-1-ium-1-ylacetyl)pyridin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-keto-1,6-dimethyl-4-(2-pyridin-1-ium-1-ylacetyl)-3-pyridyl]methyl]isoindoline-1,3-quinone Formula: C23H20N3O4+ MolecularWeight: 402.4226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1C)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C[N+]4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=O)N1C)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C[N+]4=CC=CC=C4

InChI

InChI=1S/C23H20N3O4/c1-15-12-18(20(27)14-25-10-6-3-7-11-25)19(21(28)24(15)2)13-26-22(29)16-8-4-5-9-17(16)23(26)30/h3-12H,13-14H2,1-2H3/q+1