[2,3-dimethyl-1,4-bis(oxiran-2-yl)butan-2-yl]azanium; 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CC1CO1)C(C)(CC2CO2)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CC1CO1)C(C)(CC2CO2)[NH3+]

InChI

InChI=1S/C10H19NO2.C7H8O3S/c1-7(3-8-5-12-8)10(2,11)4-9-6-13-9;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,3-6,11H2,1-2H3;2-5H,1H3,(H,8,9,10)