(3R)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3R)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3R)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3R)-N'-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3R)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3R)-N'-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C19H23N6O4+ MolecularWeight: 399.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NNC(=O)C2COC3=CC=CC=C3O2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NNC(=O)[C@H]2COC3=CC=CC=C3O2)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6O4/c26-17(12-24-8-10-25(11-9-24)19-20-6-3-7-21-19)22-23-18(27)16-13-28-14-4-1-2-5-15(14)29-16/h1-7,16H,8-13H2,(H,22,26)(H,23,27)/p+1/t16-/m1/s1