2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide Formula: C21H21N4OS+ MolecularWeight: 377.48264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N4OS/c22-13-15-4-3-5-17(12-15)23-20(26)14-25-10-8-16(9-11-25)21-24-18-6-1-2-7-19(18)27-21/h1-7,12,16H,8-11,14H2,(H,23,26)/p+1