3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanethioamide

Systemtic Name: 3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanethioamide Openeye Name: 3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propanethioamide CAS Name: 3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanethioamide IUPAC Name: 3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanethioamide Traditional Name: 3-(2-isopropyl-1H-imidazol-3-ium-3-yl)thiopropionamide Formula: C9H16N3S+ MolecularWeight: 198.30844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CCC(=S)N

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CCC(=S)N

InChI

InChI=1S/C9H15N3S/c1-7(2)9-11-4-6-12(9)5-3-8(10)13/h4,6-7H,3,5H2,1-2H3,(H2,10,13)/p+1