6-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(2S)-2-ethyl-4-morpholin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]sesamol Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCO1)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CC[C@H]1C[NH+](CCO1)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C14H19NO4/c1-2-11-8-15(3-4-17-11)7-10-5-13-14(6-12(10)16)19-9-18-13/h5-6,11,16H,2-4,7-9H2,1H3/p+1/t11-/m0/s1