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

Systemtic Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanenitrile bromide Openeye Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-isothiazol-2-yl]acetonitrile bromide CAS Name: 2-[4-(4-chlorophenyl)-5-(4-morpholin-4-iumylidene)-2-isothiazolyl]acetonitrile bromide IUPAC Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]acetonitrile bromide Traditional Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-3-isothiazolin-2-yl]acetonitrile bromide Formula: C15H15BrClN3OS MolecularWeight: 400.7211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN3OS.BrH/c16-13-3-1-12(2-4-13)14-11-19(6-5-17)21-15(14)18-7-9-20-10-8-18;/h1-4,11H,6-10H2;1H/q+1;/p-1