1-[4-azanyl-6-(2-sulfanylethanoyloxy)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[4-azanyl-6-(2-sulfanylethanoyloxy)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[4-amino-6-(2-sulfanylacetyl)oxy-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[4-amino-6-(2-mercapto-1-oxoethoxy)-1,3,5-triazin-2-yl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[4-amino-6-(2-sulfanylacetyl)oxy-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[4-amino-6-(2-mercaptoacetyl)oxy-s-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Formula: C11H10N5O4S+ MolecularWeight: 308.2932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2=NC(=NC(=N2)OC(=O)CS)N)C(=O)O

Isomeric SMILES

C1=CC(=C[N+](=C1)C2=NC(=NC(=N2)OC(=O)CS)N)C(=O)O

InChI

InChI=1S/C11H9N5O4S/c12-9-13-10(15-11(14-9)20-7(17)5-21)16-3-1-2-6(4-16)8(18)19/h1-4H,5H2,(H3-,12,13,14,15,18,19,21)/p+1