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

Systemtic Name: dimethyl-[3-[(2R)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]propyl]azanium Openeye Name: 3-[(2R)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-3-hydroxy-2-keto-4-(2-thenoyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C23H29N2O6S+ MolecularWeight: 461.55116

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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(=C(C(=C3)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-24(2)9-7-10-25-19(14-12-15(29-3)22(31-5)16(13-14)30-4)18(21(27)23(25)28)20(26)17-8-6-11-32-17/h6,8,11-13,19,27H,7,9-10H2,1-5H3/p+1/t19-/m1/s1