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

Systemtic Name: 6-[(S)-(2-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(2-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(2-methoxyphenyl)-(4-morpholin-4-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(2-methoxyphenyl)-morpholin-4-ium-4-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(2-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]sesamol Formula: C19H22NO5+ MolecularWeight: 344.38168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5/c1-22-16-5-3-2-4-13(16)19(20-6-8-23-9-7-20)14-10-17-18(11-15(14)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3/p+1/t19-/m1/s1