(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidine; methanesulfonic acid

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidine; methanesulfonic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidine; methanesulfonic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenylpiperidine; methanesulfonic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenylpiperidine; methanesulfonic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidine; mesylic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CNCC(C1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)O.C1CNC[C@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21NO3.CH4O3S/c1-2-4-14(5-3-1)17-8-9-20-11-15(17)12-21-16-6-7-18-19(10-16)23-13-22-18;1-5(2,3)4/h1-7,10,15,17,20H,8-9,11-13H2;1H3,(H,2,3,4)/t15-,17-;/m0./s1