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

Systemtic Name: 6-[(S)-(4-dimethylaminophenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(4-dimethylaminophenyl)-morpholin-4-ium-4-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(4-dimethylaminophenyl)-(4-morpholin-4-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(4-dimethylaminophenyl)-morpholin-4-ium-4-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(4-dimethylaminophenyl)-morpholin-4-ium-4-yl-methyl]sesamol Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-21(2)15-5-3-14(4-6-15)20(22-7-9-24-10-8-22)16-11-18-19(12-17(16)23)26-13-25-18/h3-6,11-12,20,23H,7-10,13H2,1-2H3/p+1/t20-/m0/s1