(2R)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ium-4-yl-2-phenyl-ethanamide

Systemtic Name: (2R)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ium-4-yl-2-phenyl-ethanamide Openeye Name: (2R)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholin-4-ium-4-yl-2-phenyl-acetamide CAS Name: (2R)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-morpholin-4-iumyl)-2-phenylacetamide IUPAC Name: (2R)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-ium-4-yl-2-phenylacetamide Traditional Name: (2R)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholin-4-ium-4-yl-2-phenyl-acetamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(C3=CC=CC=C3)[NH+]4CCOCC4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)[C@@H](C3=CC=CC=C3)[NH+]4CCOCC4)C#N

InChI

InChI=1S/C21H23N3O2S/c22-14-17-16-8-4-5-9-18(16)27-21(17)23-20(25)19(15-6-2-1-3-7-15)24-10-12-26-13-11-24/h1-3,6-7,19H,4-5,8-13H2,(H,23,25)/p+1/t19-/m1/s1