6-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]methyl]sesamol Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)OC)OC

InChI

InChI=1S/C22H28N2O5/c1-15-8-19(26-2)20(27-3)9-16(15)12-23-4-6-24(7-5-23)13-17-10-21-22(11-18(17)25)29-14-28-21/h8-11,25H,4-7,12-14H2,1-3H3/p+1