2-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]propanedinitrile

Systemtic Name: 2-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]propanedinitrile Openeye Name: 2-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]propanedinitrile CAS Name: 2-[[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]iminomethyl]propanedinitrile IUPAC Name: 2-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]propanedinitrile Traditional Name: 2-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]malononitrile Formula: C16H18FN4O+ MolecularWeight: 301.338723

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CN=CC(C#N)C#N)C2=CC=C(C=C2)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CN=CC(C#N)C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN4O/c17-15-3-1-14(2-4-15)16(21-5-7-22-8-6-21)12-20-11-13(9-18)10-19/h1-4,11,13,16H,5-8,12H2/p+1/t16-/m1/s1