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

Systemtic Name: 6-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methyl]sesamol Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-15-4-2-3-5-16(15)12-21-6-8-22(9-7-21)13-17-10-19-20(11-18(17)23)25-14-24-19/h2-5,10-11,23H,6-9,12-14H2,1H3/p+1