(2R)-1-[3-(dimethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(dimethylammonio)propyl]-5-oxo-2-(p-tolyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(dimethylammonio)propyl]-2-(4-methylphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(dimethylammonio)propyl]-2-keto-5-(p-tolyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H24N2O3S MolecularWeight: 384.49186

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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/t18-/m1/s1