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

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2-(3-prop-2-enoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(3-allyloxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-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-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(3-allyloxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC=CS4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC=CS4

InChI

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