1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-ium-1-yl]propan-1-one Openeye Name: 3-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-2-(phenylmethyl)-1-pyrrolidin-1-iumyl]-1-propanone IUPAC Name: 3-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Traditional Name: 3-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25NO3/c24-20(18-8-9-21-22(16-18)26-14-13-25-21)10-12-23-11-4-7-19(23)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,4,7,10-15H2/p+1/t19-/m0/s1