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

Systemtic Name: 2-[(2S)-2-(3-chlorophenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-2-(3-chlorophenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C21H24ClN2O3S+ MolecularWeight: 419.94486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-3-23(4-2)10-11-24-18(14-7-5-8-15(22)13-14)17(20(26)21(24)27)19(25)16-9-6-12-28-16/h5-9,12-13,18,26H,3-4,10-11H2,1-2H3/p+1/t18-/m0/s1