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

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

Systemtic Name:6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
Openeye Name:6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
CAS Name:6-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol
IUPAC Name:6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
Traditional Name:6-[(4-pyridin-1-ium-2-ylpiperazino)methyl]sesamol
Formula: C17H20N3O3+
MolecularWeight: 314.359
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=CC=CC=[NH+]4


Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C4=CC=CC=[NH+]4


InChI

InChI=1S/C17H19N3O3/c21-14-10-16-15(22-12-23-16)9-13(14)11-19-5-7-20(8-6-19)17-3-1-2-4-18-17/h1-4,9-10,21H,5-8,11-12H2/p+1


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