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

Systemtic Name: 6-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]sesamol Formula: C17H21N3O3+2 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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