6-[(S)-(2,5-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(S)-(2,5-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(2,5-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(2,5-dimethoxyphenyl)-(1-pyrrolidin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(2,5-dimethoxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(2,5-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]sesamol Formula: C20H24NO5+ MolecularWeight: 358.40826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C20H23NO5/c1-23-13-5-6-17(24-2)15(9-13)20(21-7-3-4-8-21)14-10-18-19(11-16(14)22)26-12-25-18/h5-6,9-11,20,22H,3-4,7-8,12H2,1-2H3/p+1/t20-/m0/s1