2-(1,3-benzothiazol-3-ium-3-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-(phenylmethyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-benzyl-acetamide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-(phenylmethyl)acetamide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-benzylacetamide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-benzyl-acetamide Formula: C16H15N2OS+ MolecularWeight: 283.3681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C[N+]2=CSC3=CC=CC=C32

InChI

InChI=1S/C16H14N2OS/c19-16(17-10-13-6-2-1-3-7-13)11-18-12-20-15-9-5-4-8-14(15)18/h1-9,12H,10-11H2/p+1