4-methylbenzenesulfonate; methyl-bis(oxiran-2-ylmethyl)-propyl-azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-bis(oxiran-2-ylmethyl)-propyl-azanium Openeye Name: 4-methylbenzenesulfonate; methyl-bis(oxiran-2-ylmethyl)-propyl-ammonium CAS Name: 4-methylbenzenesulfonate; methyl-bis(2-oxiranylmethyl)-propylammonium IUPAC Name: 4-methylbenzenesulfonate; methyl-bis(oxiran-2-ylmethyl)-propylazanium Traditional Name: diglycidyl-methyl-propyl-ammonium tosylate Formula: C17H27NO5S MolecularWeight: 357.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CC1CO1)CC2CO2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+](C)(CC1CO1)CC2CO2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H20NO2.C7H8O3S/c1-3-4-11(2,5-9-7-12-9)6-10-8-13-10;1-6-2-4-7(5-3-6)11(8,9)10/h9-10H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1