2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-naphthyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-naphthyl)acetamide Formula: C24H25N4OS+ MolecularWeight: 417.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4OS/c29-23(25-20-10-9-18-5-1-2-6-19(18)15-20)16-27-11-13-28(14-12-27)17-24-26-21-7-3-4-8-22(21)30-24/h1-10,15H,11-14,16-17H2,(H,25,29)/p+1