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

Systemtic Name: dimethyl-[2-[(2S)-4-oxidanyl-5-oxidanylidene-2-(3-phenylmethoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: 2-[(2S)-2-(3-benzyloxyphenyl)-4-hydroxy-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-(3-phenylmethoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-4-hydroxy-5-oxo-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-2-(3-benzoxyphenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C26H27N2O4S+ MolecularWeight: 463.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4S/c1-27(2)13-14-28-23(22(25(30)26(28)31)24(29)21-12-7-15-33-21)19-10-6-11-20(16-19)32-17-18-8-4-3-5-9-18/h3-12,15-16,23,30H,13-14,17H2,1-2H3/p+1/t23-/m0/s1