N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenoxy-benzamide

Systemtic Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenoxy-benzamide Openeye Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenoxy-benzamide CAS Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenoxybenzamide IUPAC Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenoxybenzamide Traditional Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-3-phenoxy-benzamide Formula: C24H24N3O2S+ MolecularWeight: 418.53126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S/c1-16(2)27-12-11-20-21(14-25)24(30-22(20)15-27)26-23(28)17-7-6-10-19(13-17)29-18-8-4-3-5-9-18/h3-10,13,16H,11-12,15H2,1-2H3,(H,26,28)/p+1