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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C23H22FN4OS+ MolecularWeight: 421.510383

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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)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C23H21FN4OS/c24-19-8-4-5-9-21(19)28-12-10-27(11-13-28)15-22(29)18(14-25)23-26-20(16-30-23)17-6-2-1-3-7-17/h1-9,16,18H,10-13,15H2/p+1