1,4-dimethyl-1,4-bis(oxiran-2-ylmethyl)piperazine-1,4-diium; 4-methylbenzenesulfonate

Systemtic Name: 1,4-dimethyl-1,4-bis(oxiran-2-ylmethyl)piperazine-1,4-diium; 4-methylbenzenesulfonate Openeye Name: 1,4-dimethyl-1,4-bis(oxiran-2-ylmethyl)piperazine-1,4-diium; 4-methylbenzenesulfonate CAS Name: 1,4-dimethyl-1,4-bis(2-oxiranylmethyl)piperazine-1,4-diium; 4-methylbenzenesulfonate IUPAC Name: 1,4-dimethyl-1,4-bis(oxiran-2-ylmethyl)piperazine-1,4-diium; 4-methylbenzenesulfonate Traditional Name: 1,4-diglycidyl-1,4-dimethyl-piperazine-1,4-diium tosylate Formula: C19H31N2O5S+ MolecularWeight: 399.52484

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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)CC2CO2)CC3CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CC[N+](CC1)(C)CC2CO2)CC3CO3

InChI

InChI=1S/C12H24N2O2.C7H8O3S/c1-13(7-11-9-15-11)3-5-14(2,6-4-13)8-12-10-16-12;1-6-2-4-7(5-3-6)11(8,9)10/h11-12H,3-10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+2;/p-1