4-methylbenzenesulfonate; 1,1,4,4-tetraethylpiperazine-1,4-diium

Systemtic Name: 4-methylbenzenesulfonate; 1,1,4,4-tetraethylpiperazine-1,4-diium Openeye Name: 4-methylbenzenesulfonate; 1,1,4,4-tetraethylpiperazine-1,4-diium CAS Name: 4-methylbenzenesulfonate; 1,1,4,4-tetraethylpiperazine-1,4-diium IUPAC Name: 4-methylbenzenesulfonate; 1,1,4,4-tetraethylpiperazine-1,4-diium Traditional Name: 1,1,4,4-tetraethylpiperazine-1,4-diium ditosylate Formula: C26H42N2O6S2 MolecularWeight: 542.75148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H28N2.2C7H8O3S/c1-5-13(6-2)9-11-14(7-3,8-4)12-10-13;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-12H2,1-4H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2