1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(2S)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(2S)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]azanium Traditional Name: cyclopentyl-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-piperonyl-ammonium Formula: C22H27FNO4+ MolecularWeight: 388.452483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)F)O

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)C[C@@H](COC4=CC=C(C=C4)F)O

InChI

InChI=1S/C22H26FNO4/c23-17-6-8-20(9-7-17)26-14-19(25)13-24(18-3-1-2-4-18)12-16-5-10-21-22(11-16)28-15-27-21/h5-11,18-19,25H,1-4,12-15H2/p+1/t19-/m0/s1