3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(4-benzylpiperazin-1-ium-1-yl)-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 3-oxo-4-[4-(phenylmethyl)-1-piperazin-1-iumyl]-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-(4-benzylpiperazin-1-ium-1-yl)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-(4-benzylpiperazin-1-ium-1-yl)-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4OS/c25-15-21(24-26-22(18-30-24)20-9-5-2-6-10-20)23(29)17-28-13-11-27(12-14-28)16-19-7-3-1-4-8-19/h1-10,18,21H,11-14,16-17H2/p+1