4-(3-chloranyl-4-methoxy-phenyl)carbonyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-4-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)carbonyl-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: 4-(3-chloro-4-methoxy-benzoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[(3-chloro-4-methoxyphenyl)-oxomethyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: 4-(3-chloro-4-methoxybenzoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: 4-(3-chloro-4-methoxy-benzoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C23H22ClN4O4+ MolecularWeight: 453.89818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=NC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=NC=C4)Cl

InChI

InChI=1S/C23H21ClN4O4/c1-32-18-4-3-16(13-17(18)24)21(29)19-20(15-5-7-25-8-6-15)28(23(31)22(19)30)11-2-10-27-12-9-26-14-27/h3-9,12-14,19-20H,2,10-11H2,1H3/p+1