1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2-phenyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2-phenyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[oxo(thiophen-2-yl)methyl]-2-phenyl-2H-pyrrol-5-one IUPAC Name: 4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C21H20N3O3S+ MolecularWeight: 394.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)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/h1-4,6-9,12-14,18H,5,10-11H2,(H,25,26)/p+1