4-methylbenzenesulfonate; 1-(phenylmethoxymethyl)piperidine

Systemtic Name: 4-methylbenzenesulfonate; 1-(phenylmethoxymethyl)piperidine Openeye Name: 1-(benzyloxymethyl)piperidine; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-(phenylmethoxymethyl)piperidine IUPAC Name: 4-methylbenzenesulfonate; 1-(phenylmethoxymethyl)piperidine Traditional Name: 1-(benzoxymethyl)piperidine tosylate Formula: C20H26NO4S- MolecularWeight: 376.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCN(CC1)COCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCN(CC1)COCC2=CC=CC=C2

InChI

InChI=1S/C13H19NO.C7H8O3S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,7-8H,2,5-6,9-12H2;2-5H,1H3,(H,8,9,10)/p-1