3-hexyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-carbaldehyde

Systemtic Name: 3-hexyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-carbaldehyde Openeye Name: 3-hexyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde CAS Name: 3-hexyl-2-oxo-1,3-benzothiazol-3-ium-3-carboxaldehyde IUPAC Name: 3-hexyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde Traditional Name: 3-hexyl-2-keto-1,3-benzothiazol-3-ium-3-carbaldehyde Formula: C14H18NO2S+ MolecularWeight: 264.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C2=CC=CC=C2SC1=O)C=O

Isomeric SMILES

CCCCCC[N+]1(C2=CC=CC=C2SC1=O)C=O

InChI

InChI=1S/C14H18NO2S/c1-2-3-4-7-10-15(11-16)12-8-5-6-9-13(12)18-14(15)17/h5-6,8-9,11H,2-4,7,10H2,1H3/q+1