1-[[1-[3-[3-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-yl]methyl]pyrrole-2,5-dione

Systemtic Name: 1-[[1-[3-[3-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-yl]methyl]pyrrole-2,5-dione Openeye Name: 1-[[1-[3-[3-[(2,5-dioxopyrrol-1-yl)methyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-yl]methyl]pyrrole-2,5-dione CAS Name: 1-[[1-[3-[3-[(2,5-dioxo-1-pyrrolyl)methyl]-1-pyridin-1-iumyl]propyl]-3-pyridin-1-iumyl]methyl]pyrrole-2,5-dione IUPAC Name: 1-[[1-[3-[3-[(2,5-dioxopyrrol-1-yl)methyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-yl]methyl]pyrrole-2,5-dione Traditional Name: 1-[[1-[3-[3-(maleimidomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-yl]methyl]-3-pyrroline-2,5-quinone Formula: C23H22N4O4+2 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCC[N+]2=CC=CC(=C2)CN3C(=O)C=CC3=O)CN4C(=O)C=CC4=O

Isomeric SMILES

C1=CC(=C[N+](=C1)CCC[N+]2=CC=CC(=C2)CN3C(=O)C=CC3=O)CN4C(=O)C=CC4=O

InChI

InChI=1S/C23H22N4O4/c28-20-6-7-21(29)26(20)16-18-4-1-10-24(14-18)12-3-13-25-11-2-5-19(15-25)17-27-22(30)8-9-23(27)31/h1-2,4-11,14-15H,3,12-13,16-17H2/q+2