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

Systemtic Name: 3-[(2S)-2-(3-chlorophenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C22H26ClN2O3S+ MolecularWeight: 433.97144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3S/c1-3-24(4-2)11-7-12-25-19(15-8-5-9-16(23)14-15)18(21(27)22(25)28)20(26)17-10-6-13-29-17/h5-6,8-10,13-14,19,27H,3-4,7,11-12H2,1-2H3/p+1/t19-/m0/s1