(2Z)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile

Systemtic Name: (2Z)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Openeye Name: (2Z)-2-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile CAS Name: (2Z)-2-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile IUPAC Name: (2Z)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Traditional Name: (2Z)-2-[4-(4-chlorophenyl)-4-thiazolin-2-ylidene]-3-keto-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyronitrile Formula: C22H19ClN3OS+ MolecularWeight: 408.92376

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)C(=C3NC(=CS3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)/C(=C\3/NC(=CS3)C4=CC=C(C=C4)Cl)/C#N

InChI

InChI=1S/C22H18ClN3OS/c23-18-7-5-16(6-8-18)20-14-28-22(25-20)19(11-24)21(27)13-26-10-9-15-3-1-2-4-17(15)12-26/h1-8,14,25H,9-10,12-13H2/p+1/b22-19-