(2E)-4-morpholin-4-ium-4-yl-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile

Systemtic Name: (2E)-4-morpholin-4-ium-4-yl-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile Openeye Name: (2E)-4-morpholin-4-ium-4-yl-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)butanenitrile CAS Name: (2E)-4-(4-morpholin-4-iumyl)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)butanenitrile IUPAC Name: (2E)-4-morpholin-4-ium-4-yl-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile Traditional Name: (2E)-3-keto-4-morpholin-4-ium-4-yl-2-(4-phenyl-4-thiazolin-2-ylidene)butyronitrile Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)C(=C2NC(=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1COCC[NH+]1CC(=O)/C(=C/2\NC(=CS2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C17H17N3O2S/c18-10-14(16(21)11-20-6-8-22-9-7-20)17-19-15(12-23-17)13-4-2-1-3-5-13/h1-5,12,19H,6-9,11H2/p+1/b17-14+