2-(3-bromophenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(3-bromophenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(3-bromophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3-bromophenyl)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3-bromophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3-bromophenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)Br)CC[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)Br)CC[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C22H24BrN3O4S/c1-13-21(31-14(2)24-13)19(27)17-18(15-4-3-5-16(23)12-15)26(22(29)20(17)28)7-6-25-8-10-30-11-9-25/h3-5,12,18,28H,6-11H2,1-2H3