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

Systemtic Name: 6-[(R)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(R)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(R)-(4-methoxyphenyl)-(1-piperidin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(R)-(4-methoxyphenyl)-piperidin-1-ium-1-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(R)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]sesamol Formula: C20H24NO4+ MolecularWeight: 342.40886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCCCC4

InChI

InChI=1S/C20H23NO4/c1-23-15-7-5-14(6-8-15)20(21-9-3-2-4-10-21)16-11-18-19(12-17(16)22)25-13-24-18/h5-8,11-12,20,22H,2-4,9-10,13H2,1H3/p+1/t20-/m1/s1