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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c25-19(21-15-5-1-3-7-17(15)24(26)27)13-23-11-9-14(10-12-23)20-22-16-6-2-4-8-18(16)28-20/h1-8,14H,9-13H2,(H,21,25)/p+1