4-methylbenzenesulfonic acid; 1,1,4,4-tetramethylpiperazine-1,4-diium

Systemtic Name: 4-methylbenzenesulfonic acid; 1,1,4,4-tetramethylpiperazine-1,4-diium Openeye Name: 4-methylbenzenesulfonic acid; 1,1,4,4-tetramethylpiperazine-1,4-diium CAS Name: 4-methylbenzenesulfonic acid; 1,1,4,4-tetramethylpiperazine-1,4-diium IUPAC Name: 4-methylbenzenesulfonic acid; 1,1,4,4-tetramethylpiperazine-1,4-diium Traditional Name: 1,1,4,4-tetramethylpiperazine-1,4-diium; tosylic acid Formula: C15H28N2O3S+2 MolecularWeight: 316.45942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H20N2.C7H8O3S/c1-9(2)5-7-10(3,4)8-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+2;