2-(8-oxidanylquinolin-1-ium-1-yl)ethyl carbamimidothioate

Systemtic Name: 2-(8-oxidanylquinolin-1-ium-1-yl)ethyl carbamimidothioate Openeye Name: 2-[2-(8-hydroxyquinolin-1-ium-1-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(8-hydroxy-1-quinolin-1-iumyl)ethyl ester IUPAC Name: 2-(8-hydroxyquinolin-1-ium-1-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(8-hydroxyquinolin-1-ium-1-yl)ethyl]isothiourea Formula: C12H14N3OS+ MolecularWeight: 248.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)[N+](=CC=C2)CCSC(=N)N

Isomeric SMILES

C1=CC2=C(C(=C1)O)[N+](=CC=C2)CCSC(=N)N

InChI

InChI=1S/C12H13N3OS/c13-12(14)17-8-7-15-6-2-4-9-3-1-5-10(16)11(9)15/h1-6H,7-8H2,(H3-,13,14,16)/p+1