1,3-dimethylperimidin-3-ium-6-sulfonate

Systemtic Name: 1,3-dimethylperimidin-3-ium-6-sulfonate Openeye Name: 1,3-dimethylperimidin-3-ium-6-sulfonate CAS Name: 1,3-dimethyl-6-perimidin-3-iumsulfonate IUPAC Name: 1,3-dimethylperimidin-3-ium-6-sulfonate Traditional Name: 1,3-dimethylperimidin-3-ium-6-sulfonate Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C3C1=CC=CC3=C(C=C2)S(=O)(=O)[O-])C

Isomeric SMILES

CN1C=[N+](C2=C3C1=CC=CC3=C(C=C2)S(=O)(=O)[O-])C

InChI

InChI=1S/C13H12N2O3S/c1-14-8-15(2)11-6-7-12(19(16,17)18)9-4-3-5-10(14)13(9)11/h3-8H,1-2H3