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

Systemtic Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]sesamol Formula: C19H23N2O4+ MolecularWeight: 343.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C19H22N2O4/c1-23-16-4-2-3-15(10-16)21-7-5-20(6-8-21)12-14-9-18-19(11-17(14)22)25-13-24-18/h2-4,9-11,22H,5-8,12-13H2,1H3/p+1