1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-fluorophenyl)-3-oxidanyl-pyrrolidin-1-ium-1-yl]propan-1-one chloride

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-fluorophenyl)-3-oxidanyl-pyrrolidin-1-ium-1-yl]propan-1-one chloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-fluorophenyl)-3-hydroxy-pyrrolidin-1-ium-1-yl]propan-1-one chloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-iumyl]-1-propanone chloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-ium-1-yl]propan-1-one chloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-fluorophenyl)-3-hydroxy-pyrrolidin-1-ium-1-yl]propan-1-one chloride Formula: C21H23ClFNO4 MolecularWeight: 407.863023

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1(C2=CC=C(C=C2)F)O)CCC(=O)C3=CC4=C(C=C3)OCCO4.[Cl-]

Isomeric SMILES

C1C[NH+](CC1(C2=CC=C(C=C2)F)O)CCC(=O)C3=CC4=C(C=C3)OCCO4.[Cl-]

InChI

InChI=1S/C21H22FNO4.ClH/c22-17-4-2-16(3-5-17)21(25)8-10-23(14-21)9-7-18(24)15-1-6-19-20(13-15)27-12-11-26-19;/h1-6,13,25H,7-12,14H2;1H