2-[[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]methylene]propanedinitrile CAS Name: 2-[[4-methoxy-3-(4-thiomorpholin-4-iumylmethyl)phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]methylidene]propanedinitrile Traditional Name: 2-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzylidene]malononitrile Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C#N)C[NH+]2CCSCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C#N)C[NH+]2CCSCC2

InChI

InChI=1S/C16H17N3OS/c1-20-16-3-2-13(8-14(10-17)11-18)9-15(16)12-19-4-6-21-7-5-19/h2-3,8-9H,4-7,12H2,1H3/p+1