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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(phenylmethyl)azetidin-3-ol Openeye Name: 1-benzylazetidin-3-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-(phenylmethyl)-3-azetidinol IUPAC Name: 1-benzylazetidin-3-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzylazetidin-3-ol; tosylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN1CC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN1CC2=CC=CC=C2)O

InChI

InChI=1S/C10H13NO.C7H8O3S/c12-10-7-11(8-10)6-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10,12H,6-8H2;2-5H,1H3,(H,8,9,10)