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

Systemtic Name: dimethyl-[3-[(2R)-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: 3-[(2R)-4-hydroxy-5-oxo-2-(p-tolyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-4-hydroxy-2-(4-methylphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-4-hydroxy-2-(4-methylphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-3-hydroxy-2-keto-5-(p-tolyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O3S/c1-14-7-9-15(10-8-14)18-17(19(24)16-6-4-13-27-16)20(25)21(26)23(18)12-5-11-22(2)3/h4,6-10,13,18,25H,5,11-12H2,1-3H3/p+1/t18-/m1/s1