4-(3-chloranyl-4-ethoxy-phenyl)carbonyl-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(3-chloranyl-4-ethoxy-phenyl)carbonyl-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(3-chloro-4-ethoxy-benzoyl)-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[(3-chloro-4-ethoxyphenyl)-oxomethyl]-1-[3-(1-imidazolyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-(3-chloro-4-ethoxybenzoyl)-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-(3-chloro-4-ethoxy-benzoyl)-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C24H24ClN4O4+ MolecularWeight: 467.92476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O4/c1-2-33-19-7-6-16(13-18(19)25)22(30)20-21(17-5-3-8-26-14-17)29(24(32)23(20)31)11-4-10-28-12-9-27-15-28/h3,5-9,12-15,20-21H,2,4,10-11H2,1H3/p+1