6-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]sesamol Formula: C20H24NO4+ MolecularWeight: 342.40886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H23NO4/c1-2-23-16-7-5-14(6-8-16)17-4-3-9-21(17)12-15-10-19-20(11-18(15)22)25-13-24-19/h5-8,10-11,17,22H,2-4,9,12-13H2,1H3/p+1/t17-/m1/s1