1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2,3-dione

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2,3-dione Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxo(thiophen-2-yl)methyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-4-(2-thenoyl)pyrrolidine-2,3-quinone Formula: C21H20N3O3S+ MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCC[N+]3=CNC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCC[N+]3=CNC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H19N3O3S/c25-19(16-8-4-13-28-16)17-18(15-6-2-1-3-7-15)24(21(27)20(17)26)11-5-10-23-12-9-22-14-23/h1-4,6-9,12-14,17-18H,5,10-11H2/p+1