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

Systemtic Name: dimethyl-[2-[(2S)-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: 2-[(2S)-4-hydroxy-2-(4-isopropoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-4-hydroxy-5-oxo-2-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-4-hydroxy-2-(4-isopropoxyphenyl)-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-14(2)28-16-9-7-15(8-10-16)19-18(20(25)17-6-5-13-29-17)21(26)22(27)24(19)12-11-23(3)4/h5-10,13-14,19,26H,11-12H2,1-4H3/p+1/t19-/m0/s1