6-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]sesamol Formula: C21H28N2O4+2 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C21H26N2O4/c1-15-3-4-19(25-2)17(9-15)13-23-7-5-22(6-8-23)12-16-10-20-21(11-18(16)24)27-14-26-20/h3-4,9-11,24H,5-8,12-14H2,1-2H3/p+2