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

Systemtic Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzenecarbonitrile Openeye Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzonitrile CAS Name: 4-(4-thiomorpholin-4-iumylmethyl)benzonitrile IUPAC Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzonitrile Traditional Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzonitrile Formula: C12H15N2S+ MolecularWeight: 219.3259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2S/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2/p+1