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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C2=CC=C(C=C2)OC)C3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H24N2O4/c1-21-7-9-22(10-8-21)20(14-3-5-15(24-2)6-4-14)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