N4,N5-dimethyl-1,3-thiazol-3-ium-3,4,5-triamine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: N4,N5-dimethyl-1,3-thiazol-3-ium-3,4,5-triamine; 2,4,6-trimethylbenzenesulfonate Openeye Name: N4,N5-dimethylthiazol-3-ium-3,4,5-triamine; 2,4,6-trimethylbenzenesulfonate CAS Name: N4,N5-dimethylthiazol-3-ium-3,4,5-triamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-N,5-N-dimethyl-1,3-thiazol-3-ium-3,4,5-triamine; 2,4,6-trimethylbenzenesulfonate Traditional Name: [3-amino-4-(methylamino)thiazol-3-ium-5-yl]-methyl-amine; 2,4,6-trimethylbesylate Formula: C14H22N4O3S2 MolecularWeight: 358.47948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CNC1=C(SC=[N+]1N)NC

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CNC1=C(SC=[N+]1N)NC

InChI

InChI=1S/C9H12O3S.C5H11N4S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-7-4-5(8-2)10-3-9(4)6/h4-5H,1-3H3,(H,10,11,12);3,7-8H,6H2,1-2H3/q;+1/p-1