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

Systemtic Name: 6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]sesamol Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)C4=NC=CC=N4

InChI

InChI=1S/C16H18N4O3/c21-13-9-15-14(22-11-23-15)8-12(13)10-19-4-6-20(7-5-19)16-17-2-1-3-18-16/h1-3,8-9,21H,4-7,10-11H2/p+1