2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanamide bromide

Systemtic Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanamide bromide Openeye Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-isothiazol-2-yl]acetamide bromide CAS Name: 2-[4-(4-chlorophenyl)-5-(4-morpholin-4-iumylidene)-2-isothiazolyl]acetamide bromide IUPAC Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]acetamide bromide Traditional Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-3-isothiazolin-2-yl]acetamide bromide Formula: C15H17BrClN3O2S MolecularWeight: 418.73638

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C2C(=CN(S2)CC(=O)N)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1COCC[N+]1=C2C(=CN(S2)CC(=O)N)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C15H16ClN3O2S.BrH/c16-12-3-1-11(2-4-12)13-9-19(10-14(17)20)22-15(13)18-5-7-21-8-6-18;/h1-4,9H,5-8,10H2,(H-,17,20);1H