1-[3-[(4-pyridin-1-ium-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone

Systemtic Name: 1-[3-[(4-pyridin-1-ium-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone Openeye Name: 1-[3-[(4-pyridin-1-ium-3-ylthiazol-2-yl)amino]phenyl]ethanone CAS Name: 1-[3-[[4-(3-pyridin-1-iumyl)-2-thiazolyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[(4-pyridin-1-ium-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone Traditional Name: 1-[3-[(4-pyridin-1-ium-3-ylthiazol-2-yl)amino]phenyl]ethanone Formula: C16H14N3OS+ MolecularWeight: 296.36686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC(=CS2)C3=C[NH+]=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC(=CS2)C3=C[NH+]=CC=C3

InChI

InChI=1S/C16H13N3OS/c1-11(20)12-4-2-6-14(8-12)18-16-19-15(10-21-16)13-5-3-7-17-9-13/h2-10H,1H3,(H,18,19)/p+1