methyl N-cyano-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-4-ium-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-4-ium-1-carboximidothioate Openeye Name: methyl N-cyano-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-4-ium-1-carboximidothioate CAS Name: N-cyano-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-piperazin-4-iumcarboximidothioic acid methyl ester IUPAC Name: methyl N-cyano-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-4-ium-1-carboximidothioate Traditional Name: N-cyano-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-4-ium-1-carboximidothioic acid methyl ester Formula: C12H19N6S+ MolecularWeight: 279.38446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C[NH+]2CCN(CC2)C(=NC#N)SC

Isomeric SMILES

CC1=C(N=CN1)C[NH+]2CCN(CC2)C(=NC#N)SC

InChI

InChI=1S/C12H18N6S/c1-10-11(16-9-15-10)7-17-3-5-18(6-4-17)12(19-2)14-8-13/h9H,3-7H2,1-2H3,(H,15,16)/p+1