3-[(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-2-keto-5-(p-tolyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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=C(N=C(S3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=C(N=C(S3)C)C

InChI

InChI=1S/C22H27N3O3S/c1-13-7-9-16(10-8-13)18-17(19(26)21-14(2)23-15(3)29-21)20(27)22(28)25(18)12-6-11-24(4)5/h7-10,18,27H,6,11-12H2,1-5H3/p+1/t18-/m0/s1