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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N,N-diphenylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-diphenylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-acetamide Formula: C26H26N3OS+ MolecularWeight: 428.56914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3OS/c30-25(29(21-9-3-1-4-10-21)22-11-5-2-6-12-22)19-28-17-15-20(16-18-28)26-27-23-13-7-8-14-24(23)31-26/h1-14,20H,15-19H2/p+1