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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CS3

Isomeric SMILES

CCCOC1=CC=CC(=C1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-4-12-28-16-8-5-7-15(14-16)19-18(20(25)17-9-6-13-29-17)21(26)22(27)24(19)11-10-23(2)3/h5-9,13-14,19,26H,4,10-12H2,1-3H3/p+1/t19-/m1/s1