2-(1-methylaziridin-1-ium-1-yl)ethanol; 4-methylbenzenesulfonate

Systemtic Name: 2-(1-methylaziridin-1-ium-1-yl)ethanol; 4-methylbenzenesulfonate Openeye Name: 2-(1-methylaziridin-1-ium-1-yl)ethanol; 4-methylbenzenesulfonate CAS Name: 2-(1-methyl-1-aziridin-1-iumyl)ethanol; 4-methylbenzenesulfonate IUPAC Name: 2-(1-methylaziridin-1-ium-1-yl)ethanol; 4-methylbenzenesulfonate Traditional Name: 2-(1-methylethylenimin-1-ium-1-yl)ethanol tosylate Formula: C12H19NO4S MolecularWeight: 273.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H12NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2-3-6)4-5-7/h2-5H,1H3,(H,8,9,10);7H,2-5H2,1H3/q;+1/p-1