(2S)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethanenitrile

Systemtic Name: (2S)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethanenitrile Openeye Name: (2S)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-morpholin-4-ium-4-yl-2-(2-thienyl)acetonitrile CAS Name: (2S)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylacetonitrile IUPAC Name: (2S)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-morpholin-4-ium-4-yl-2-thiophen-2-ylacetonitrile Traditional Name: (2S)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-morpholin-4-ium-4-yl-2-(2-thienyl)acetonitrile Formula: C16H14ClF3N3OS+ MolecularWeight: 388.81507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C#N)(C2=CC=CS2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1COCC[NH+]1[C@@](C#N)(C2=CC=CS2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF3N3OS/c17-12-8-11(16(18,19)20)9-22-14(12)15(10-21,13-2-1-7-25-13)23-3-5-24-6-4-23/h1-2,7-9H,3-6H2/p+1/t15-/m0/s1