(2E)-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile

Systemtic Name: (2E)-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile Openeye Name: (2E)-4-(4-benzylpiperidin-1-ium-1-yl)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)butanenitrile CAS Name: (2E)-3-oxo-4-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-(4-phenyl-3H-thiazol-2-ylidene)butanenitrile IUPAC Name: (2E)-4-(4-benzylpiperidin-1-ium-1-yl)-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile Traditional Name: (2E)-4-(4-benzylpiperidin-1-ium-1-yl)-3-keto-2-(4-phenyl-4-thiazolin-2-ylidene)butyronitrile Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C(=C3NC(=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)/C(=C/3\NC(=CS3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H25N3OS/c26-16-22(25-27-23(18-30-25)21-9-5-2-6-10-21)24(29)17-28-13-11-20(12-14-28)15-19-7-3-1-4-8-19/h1-10,18,20,27H,11-15,17H2/p+1/b25-22+