benzenesulfonate; N1,N1'-dimethyl-2H-pyridin-1-ium-1,1-diamine

Systemtic Name: benzenesulfonate; N1,N1'-dimethyl-2H-pyridin-1-ium-1,1-diamine Openeye Name: benzenesulfonate; N1,N1'-dimethyl-2H-pyridin-1-ium-1,1-diamine CAS Name: benzenesulfonate; N1,N1'-dimethyl-2H-pyridin-1-ium-1,1-diamine IUPAC Name: benzenesulfonate; 1-N,1-N'-dimethyl-2H-pyridin-1-ium-1,1-diamine Traditional Name: methyl-[1-(methylamino)-2H-pyridin-1-ium-1-yl]amine besylate Formula: C13H19N3O3S MolecularWeight: 297.37326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14N3.C6H6O3S/c1-8-10(9-2)6-4-3-5-7-10;7-10(8,9)6-4-2-1-3-5-6/h3-6,8-9H,7H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1