4-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]-2-oxidanylidene-3H-1,3-thiazole-5-carbaldehyde

Systemtic Name: 4-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]-2-oxidanylidene-3H-1,3-thiazole-5-carbaldehyde Openeye Name: 4-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]-2-oxo-3H-thiazole-5-carbaldehyde CAS Name: 4-[4-(4-dimethylaminophenyl)-1-pyridin-1-iumyl]-2-oxo-3H-thiazole-5-carboxaldehyde IUPAC Name: 4-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]-2-oxo-3H-1,3-thiazole-5-carbaldehyde Traditional Name: 4-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]-2-keto-4-thiazoline-5-carbaldehyde Formula: C17H16N3O2S+ MolecularWeight: 326.39284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=C(SC(=O)N3)C=O

InChI

InChI=1S/C17H15N3O2S/c1-19(2)14-5-3-12(4-6-14)13-7-9-20(10-8-13)16-15(11-21)23-17(22)18-16/h3-11H,1-2H3/p+1