4-(1-azanylpyridin-1-ium-4-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4-(1-azanylpyridin-1-ium-4-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-(1-aminopyridin-1-ium-4-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-(1-amino-4-pyridin-1-iumyl)-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-(1-aminopyridin-1-ium-4-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: [4-(1-aminopyridin-1-ium-4-yl)pyridin-1-ium-1-yl]amine; 2,4,6-trimethylbesylate Formula: C28H34N4O6S2 MolecularWeight: 586.72276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=C[N+](=CC=C1C2=CC=[N+](C=C2)N)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=C[N+](=CC=C1C2=CC=[N+](C=C2)N)N

InChI

InChI=1S/C10H11N4.2C9H12O3S/c11-13-5-1-9(2-6-13)10-3-7-14(12)8-4-10;2*1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-8,11H,12H2;2*4-5H,1-3H3,(H,10,11,12)/q+1;;/p-1