2-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperidin-1-ium-4-ylidene]-2-phenyl-ethanenitrile chloride

Systemtic Name: 2-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperidin-1-ium-4-ylidene]-2-phenyl-ethanenitrile chloride Openeye Name: 2-[1-[4-(4-fluorophenyl)-4-oxo-butyl]piperidin-1-ium-4-ylidene]-2-phenyl-acetonitrile chloride CAS Name: 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-iumylidene]-2-phenylacetonitrile chloride IUPAC Name: 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-1-ium-4-ylidene]-2-phenylacetonitrile chloride Traditional Name: 2-[1-[4-(4-fluorophenyl)-4-keto-butyl]piperidin-1-ium-4-ylidene]-2-phenyl-acetonitrile chloride Formula: C23H24ClFN2O MolecularWeight: 398.900863

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=C(C#N)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1=C(C#N)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]

InChI

InChI=1S/C23H23FN2O.ClH/c24-21-10-8-20(9-11-21)23(27)7-4-14-26-15-12-19(13-16-26)22(17-25)18-5-2-1-3-6-18;/h1-3,5-6,8-11H,4,7,12-16H2;1H