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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-acetamide Formula: C14H12N3OS+ MolecularWeight: 270.32958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11N3OS/c18-13(10-17-8-4-1-5-9-17)16-14-15-11-6-2-3-7-12(11)19-14/h1-9H,10H2/p+1