4-methylbenzenesulfonic acid; (3R)-3-phenylmethoxypyrrolidine

Systemtic Name: 4-methylbenzenesulfonic acid; (3R)-3-phenylmethoxypyrrolidine Openeye Name: (3R)-3-benzyloxypyrrolidine; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; (3R)-3-phenylmethoxypyrrolidine IUPAC Name: 4-methylbenzenesulfonic acid; (3R)-3-phenylmethoxypyrrolidine Traditional Name: (3R)-3-benzoxypyrrolidine; tosylic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCC1OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC[C@@H]1OCC2=CC=CC=C2

InChI

InChI=1S/C11H15NO.C7H8O3S/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11-12H,6-9H2;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1