2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-methyl-pyridin-1-ium

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-methyl-pyridin-1-ium Openeye Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidyl]-1-methyl-pyridin-1-ium CAS Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidinyl]-1-methylpyridin-1-ium IUPAC Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-methylpyridin-1-ium Traditional Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidino]-1-methyl-pyridin-1-ium Formula: C25H26FN2O3+ MolecularWeight: 421.483943

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1N2CCC(C(C2)COC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

Isomeric SMILES

C[N+]1=CC=CC=C1N2CCC(C(C2)COC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26FN2O3/c1-27-12-3-2-4-25(27)28-13-11-22(18-5-7-20(26)8-6-18)19(15-28)16-29-21-9-10-23-24(14-21)31-17-30-23/h2-10,12,14,19,22H,11,13,15-17H2,1H3/q+1