2-(3-heptyl-4-oxidanylidene-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide

Systemtic Name: 2-(3-heptyl-4-oxidanylidene-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide Openeye Name: 2-(2-anilino-3-heptyl-4-oxo-thiazol-3-ium-5-yl)acetamide CAS Name: 2-(2-anilino-3-heptyl-4-oxo-5-thiazol-3-iumyl)acetamide IUPAC Name: 2-(2-anilino-3-heptyl-4-oxo-1,3-thiazol-3-ium-5-yl)acetamide Traditional Name: 2-(2-anilino-3-heptyl-4-keto-2-thiazolin-3-ium-5-yl)acetamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(SC(C1=O)CC(=O)N)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCC[N+]1=C(SC(C1=O)CC(=O)N)NC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O2S/c1-2-3-4-5-9-12-21-17(23)15(13-16(19)22)24-18(21)20-14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H2,19,22)/p+1