6-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-1-pyrrolidin-1-iumyl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]sesamol Formula: C21H26NO6+ MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-6-4-5-7-22)14-10-16-17(11-15(14)23)28-12-27-16/h8-11,20,23H,4-7,12H2,1-3H3/p+1/t20-/m0/s1