methanesulfonic acid; 1-(phenylmethyl)azetidin-3-ol

Systemtic Name: methanesulfonic acid; 1-(phenylmethyl)azetidin-3-ol Openeye Name: 1-benzylazetidin-3-ol; methanesulfonic acid CAS Name: methanesulfonic acid; 1-(phenylmethyl)-3-azetidinol IUPAC Name: 1-benzylazetidin-3-ol; methanesulfonic acid Traditional Name: 1-benzylazetidin-3-ol; mesylic acid Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1C(CN1CC2=CC=CC=C2)O

Isomeric SMILES

CS(=O)(=O)O.C1C(CN1CC2=CC=CC=C2)O

InChI

InChI=1S/C10H13NO.CH4O3S/c12-10-7-11(8-10)6-9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,12H,6-8H2;1H3,(H,2,3,4)