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

Systemtic Name: 6-[(S)-morpholin-4-ium-4-yl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-morpholin-4-ium-4-yl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-4-morpholin-4-iumyl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-morpholin-4-ium-4-yl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-morpholin-4-ium-4-yl-(2,3,4-trimethoxyphenyl)methyl]sesamol Formula: C21H26NO7+ MolecularWeight: 404.43364

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7/c1-24-16-5-4-13(20(25-2)21(16)26-3)19(22-6-8-27-9-7-22)14-10-17-18(11-15(14)23)29-12-28-17/h4-5,10-11,19,23H,6-9,12H2,1-3H3/p+1/t19-/m1/s1