4-methylbenzenesulfonic acid; 3-methyl-1-(phenylmethyl)aziridin-2-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 3-methyl-1-(phenylmethyl)aziridin-2-ol Openeye Name: 1-benzyl-3-methyl-aziridin-2-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 3-methyl-1-(phenylmethyl)-2-aziridinol IUPAC Name: 1-benzyl-3-methylaziridin-2-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzyl-3-methyl-ethylenimin-2-ol; tosylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N1CC2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1C(N1CC2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H13NO.C7H8O3S/c1-8-10(12)11(8)7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8,10,12H,7H2,1H3;2-5H,1H3,(H,8,9,10)