6-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]methyl]sesamol Formula: C19H23ClN2O3+2 MolecularWeight: 362.85052

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C19H21ClN2O3/c20-16-3-1-2-14(8-16)11-21-4-6-22(7-5-21)12-15-9-18-19(10-17(15)23)25-13-24-18/h1-3,8-10,23H,4-7,11-13H2/p+2