4-(2-methyl-1H-imidazol-3-ium-3-yl)butanethioamide

Systemtic Name: 4-(2-methyl-1H-imidazol-3-ium-3-yl)butanethioamide Openeye Name: 4-(2-methyl-1H-imidazol-3-ium-3-yl)butanethioamide CAS Name: 4-(2-methyl-1H-imidazol-3-ium-3-yl)butanethioamide IUPAC Name: 4-(2-methyl-1H-imidazol-3-ium-3-yl)butanethioamide Traditional Name: 4-(2-methyl-1H-imidazol-3-ium-3-yl)thiobutyramide Formula: C8H14N3S+ MolecularWeight: 184.28186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCCC(=S)N

Isomeric SMILES

CC1=[N+](C=CN1)CCCC(=S)N

InChI

InChI=1S/C8H13N3S/c1-7-10-4-6-11(7)5-2-3-8(9)12/h4,6H,2-3,5H2,1H3,(H2,9,12)/p+1