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

Systemtic Name: 6-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-1,3-benzodioxol-5-yl-(2-pyridin-1-iumylamino)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]sesamol Formula: C20H17N2O5+ MolecularWeight: 365.35938

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3O)OCO4)NC5=CC=CC=[NH+]5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C3=CC4=C(C=C3O)OCO4)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C20H16N2O5/c23-14-9-18-17(26-11-27-18)8-13(14)20(22-19-3-1-2-6-21-19)12-4-5-15-16(7-12)25-10-24-15/h1-9,20,23H,10-11H2,(H,21,22)/p+1/t20-/m0/s1