2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindoline-1,3-quinone Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](CC=C1)(C2=CC(=C(C=C2)OCC)OCC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCC1=C[N+](CC=C1)(C2=CC(=C(C=C2)OCC)OCC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H29N2O4/c1-4-10-19-11-9-16-28(18-19,20-14-15-23(31-5-2)24(17-20)32-6-3)27-25(29)21-12-7-8-13-22(21)26(27)30/h7-9,11-15,17-18H,4-6,10,16H2,1-3H3/q+1