2-bromanyl-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenolate

Systemtic Name: 2-bromanyl-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenolate Openeye Name: 2-bromo-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-thiazol-5-ylidene)methyl]phenolate CAS Name: 2-bromo-4-[(E)-[2-(4-morpholin-4-iumyl)-4-oxo-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-bromo-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenolate Traditional Name: 2-bromo-4-[(E)-(4-keto-2-morpholin-4-ium-4-yl-2-thiazolin-5-ylidene)methyl]phenolate Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=NC(=O)C(=CC3=CC(=C(C=C3)[O-])Br)S2

Isomeric SMILES

C1COCC[NH+]1C2=NC(=O)/C(=C\C3=CC(=C(C=C3)[O-])Br)/S2

InChI

InChI=1S/C14H13BrN2O3S/c15-10-7-9(1-2-11(10)18)8-12-13(19)16-14(21-12)17-3-5-20-6-4-17/h1-2,7-8,18H,3-6H2/b12-8+