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

Systemtic Name: 6-[(S)-(2,3-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(2,3-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(2,3-dimethoxyphenyl)-(4-morpholin-4-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(2,3-dimethoxyphenyl)-morpholin-4-ium-4-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(2,3-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]sesamol Formula: C20H24NO6+ MolecularWeight: 374.40766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C20H23NO6/c1-23-16-5-3-4-13(20(16)24-2)19(21-6-8-25-9-7-21)14-10-17-18(11-15(14)22)27-12-26-17/h3-5,10-11,19,22H,6-9,12H2,1-2H3/p+1/t19-/m1/s1