methyl N'-methyl-N-pyridin-1-ium-1-yl-carbamimidothioate

Systemtic Name: methyl N'-methyl-N-pyridin-1-ium-1-yl-carbamimidothioate Openeye Name: 2,3-dimethyl-1-pyridin-1-ium-1-yl-isothiourea CAS Name: N'-methyl-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-methyl-N-pyridin-1-ium-1-ylcarbamimidothioate Traditional Name: 2,3-dimethyl-1-pyridin-1-ium-1-yl-isothiourea Formula: C8H12N3S+ MolecularWeight: 182.26598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(N[N+]1=CC=CC=C1)SC

Isomeric SMILES

CN=C(N[N+]1=CC=CC=C1)SC

InChI

InChI=1S/C8H12N3S/c1-9-8(12-2)10-11-6-4-3-5-7-11/h3-7H,1-2H3,(H,9,10)/q+1