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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-oxidanyl-3-phenyl-pyrrolidin-1-ium-1-yl]propan-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-hydroxy-3-phenyl-pyrrolidin-1-ium-1-yl]propan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-hydroxy-3-phenyl-1-pyrrolidin-1-iumyl]-1-propanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-hydroxy-3-phenylpyrrolidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-hydroxy-3-phenyl-pyrrolidin-1-ium-1-yl]propan-1-one Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+](C[C@@]1(C2=CC=CC=C2)O)CCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO4/c23-18(16-6-7-19-20(14-16)26-13-12-25-19)8-10-22-11-9-21(24,15-22)17-4-2-1-3-5-17/h1-7,14,24H,8-13,15H2/p+1/t21-/m0/s1