2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindoline-1,3-quinone Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC[N+]1(C2=CC(=C(C=C2)OCC)OCC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC=CC[N+]1(C2=CC(=C(C=C2)OCC)OCC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H27N2O4/c1-4-18-11-9-10-16-27(18,19-14-15-22(30-5-2)23(17-19)31-6-3)26-24(28)20-12-7-8-13-21(20)25(26)29/h7-15,17H,4-6,16H2,1-3H3/q+1