3-[(2S)-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2S)-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-3-hydroxy-2-keto-5-(3-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N2O4S/c1-22(2)10-6-11-23-18(14-7-4-8-15(13-14)27-3)17(20(25)21(23)26)19(24)16-9-5-12-28-16/h4-5,7-9,12-13,18,25H,6,10-11H2,1-3H3/p+1/t18-/m0/s1