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

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methyl-1-(phenylmethyl)azetidin-3-ol Openeye Name: 1-benzyl-2-methyl-azetidin-3-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 2-methyl-1-(phenylmethyl)-3-azetidinol IUPAC Name: 1-benzyl-2-methylazetidin-3-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzyl-2-methyl-azetidin-3-ol; tosylic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN1CC2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1C(CN1CC2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H15NO.C7H8O3S/c1-9-11(13)8-12(9)7-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,9,11,13H,7-8H2,1H3;2-5H,1H3,(H,8,9,10)