4-[(4-methylphenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-[(4-methylphenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(p-tolyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methylphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(p-tolyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C24H29N3O4+2 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C[NH+]=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C[NH+]=CC=C4)O

InChI

InChI=1S/C24H27N3O4/c1-17-5-7-18(8-6-17)22(28)20-21(19-4-2-9-25-16-19)27(24(30)23(20)29)11-3-10-26-12-14-31-15-13-26/h2,4-9,16,21,28H,3,10-15H2,1H3/p+2