pyrazin-1-ium-1,2,3-triamine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: pyrazin-1-ium-1,2,3-triamine; 2,4,6-trimethylbenzenesulfonate Openeye Name: pyrazin-1-ium-1,2,3-triamine; 2,4,6-trimethylbenzenesulfonate CAS Name: pyrazin-1-ium-1,2,3-triamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: pyrazin-1-ium-1,2,3-triamine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (1,3-diaminopyrazin-1-ium-2-yl)amine; 2,4,6-trimethylbesylate Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=C[N+](=C(C(=N1)N)N)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=C[N+](=C(C(=N1)N)N)N

InChI

InChI=1S/C9H12O3S.C4H7N5/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;5-3-4(6)9(7)2-1-8-3/h4-5H,1-3H3,(H,10,11,12);1-2,6H,7H2,(H2,5,8)