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

Systemtic Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-propan-2-yloxy-benzamide Openeye Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-isopropoxy-benzamide CAS Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-propan-2-yloxybenzamide IUPAC Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-propan-2-yloxybenzamide Traditional Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-isopropoxy-benzamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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=C(C=C3)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-13(2)24-10-9-17-18(11-22)21(27-19(17)12-24)23-20(25)15-5-7-16(8-6-15)26-14(3)4/h5-8,13-14H,9-10,12H2,1-4H3,(H,23,25)/p+1