1,3-bis(oxiran-2-yl)propan-2-yl-propyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis(oxiran-2-yl)propan-2-yl-propyl-azanium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; [2-(oxiran-2-yl)-1-(oxiran-2-ylmethyl)ethyl]-propyl-ammonium CAS Name: 1,3-bis(2-oxiranyl)propan-2-yl-propylammonium; 4-methylbenzenesulfonate IUPAC Name: 1,3-bis(oxiran-2-yl)propan-2-yl-propylazanium; 4-methylbenzenesulfonate Traditional Name: [1-glycidyl-2-(oxiran-2-yl)ethyl]-propyl-ammonium tosylate Formula: C17H27NO5S MolecularWeight: 357.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC1CO1)CC2CO2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[NH2+]C(CC1CO1)CC2CO2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H19NO2.C7H8O3S/c1-2-3-11-8(4-9-6-12-9)5-10-7-13-10;1-6-2-4-7(5-3-6)11(8,9)10/h8-11H,2-7H2,1H3;2-5H,1H3,(H,8,9,10)