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

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; ethanenitrile; hydrochloride Openeye Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; hydrochloride CAS Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; hydrochloride IUPAC Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; hydrochloride Traditional Name: acetonitrile; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; hydrochloride Formula: C21H24ClFN2O3 MolecularWeight: 406.878263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO3.C2H3N.ClH/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;/h1-6,9,14,17,21H,7-8,10-12H2;1H3;1H