3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; ethanenitrile; methanesulfonic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; ethanenitrile; methanesulfonic acid Openeye Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; methanesulfonic acid CAS Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; methanesulfonic acid IUPAC Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; methanesulfonic acid Traditional Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; mesylic acid Formula: C22H27FN2O6S MolecularWeight: 466.522983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO3.C2H3N.CH4O3S/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-2-3;1-5(2,3)4/h1-6,9,14,17,21H,7-8,10-12H2;1H3;1H3,(H,2,3,4)