4-fluoranyl-3-(thiomorpholin-4-ium-4-ylmethyl)benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-(thiomorpholin-4-ium-4-ylmethyl)benzenecarbonitrile Openeye Name: 4-fluoro-3-(thiomorpholin-4-ium-4-ylmethyl)benzonitrile CAS Name: 4-fluoro-3-(4-thiomorpholin-4-iumylmethyl)benzonitrile IUPAC Name: 4-fluoro-3-(thiomorpholin-4-ium-4-ylmethyl)benzonitrile Traditional Name: 4-fluoro-3-(thiomorpholin-4-ium-4-ylmethyl)benzonitrile Formula: C12H14FN2S+ MolecularWeight: 237.316363

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1CSCC[NH+]1CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C12H13FN2S/c13-12-2-1-10(8-14)7-11(12)9-15-3-5-16-6-4-15/h1-2,7H,3-6,9H2/p+1