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

Systemtic Name: 6-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(3,4-dimethoxyphenyl)-(4-morpholin-4-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]sesamol Formula: C20H24NO6+ MolecularWeight: 374.40766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCOCC4)OC

InChI

InChI=1S/C20H23NO6/c1-23-16-4-3-13(9-17(16)24-2)20(21-5-7-25-8-6-21)14-10-18-19(11-15(14)22)27-12-26-18/h3-4,9-11,20,22H,5-8,12H2,1-2H3/p+1/t20-/m0/s1