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

Systemtic Name: 6-[(S)-(2,3-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(2,3-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(2,3-dimethoxyphenyl)-(1-pyrrolidin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(2,3-dimethoxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(2,3-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=CC(=C1OC)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C20H23NO5/c1-23-16-7-5-6-13(20(16)24-2)19(21-8-3-4-9-21)14-10-17-18(11-15(14)22)26-12-25-17/h5-7,10-11,19,22H,3-4,8-9,12H2,1-2H3/p+1/t19-/m1/s1