3,4-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-pyrrole-2,5-dione dichloride

Systemtic Name: 3,4-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-pyrrole-2,5-dione dichloride Openeye Name: 3,4-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-pyrrole-2,5-dione dichloride CAS Name: 3,4-bis[4-(dimethylamino)-1-pyridin-1-iumyl]-1-phenylpyrrole-2,5-dione dichloride IUPAC Name: 3,4-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenylpyrrole-2,5-dione dichloride Traditional Name: 3,4-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-3-pyrroline-2,5-quinone dichloride Formula: C24H25Cl2N5O2 MolecularWeight: 486.3936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=C(C=C4)N(C)C.[Cl-].[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=C(C=C4)N(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C24H25N5O2.2ClH/c1-25(2)18-10-14-27(15-11-18)21-22(28-16-12-19(13-17-28)26(3)4)24(31)29(23(21)30)20-8-6-5-7-9-20;;/h5-17H,1-4H3;2*1H/q+2;;/p-2