(4E)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxidanyl-(4-prop-2-enoxyphenyl)methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxidanyl-(4-prop-2-enoxyphenyl)methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CS4)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CS4)/O

InChI

InChI=1S/C24H23N3O4S/c1-2-14-31-18-8-6-17(7-9-18)22(28)20-21(19-5-3-15-32-19)27(24(30)23(20)29)12-4-11-26-13-10-25-16-26/h2-3,5-10,13,15-16,21H,1,4,11-12,14H2,(H,28,29)/p+1