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

Systemtic Name: 4-[(4-ethoxyphenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione CAS Name: 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-[3-(1-imidazolyl)propyl]-5-(2-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(p-phenetyl)methylene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-2-yl-pyrrolidine-2,3-quinone Formula: C24H25N4O4+ MolecularWeight: 433.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C24H24N4O4/c1-2-32-18-9-7-17(8-10-18)22(29)20-21(19-6-3-4-11-26-19)28(24(31)23(20)30)14-5-13-27-15-12-25-16-27/h3-4,6-12,15-16,21,29H,2,5,13-14H2,1H3/p+1