1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-4-ium chloride

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-4-ium chloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-4-ium chloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-4-ium chloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-4-ium chloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-4-ium chloride Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C(=CC=C2)OCCO3.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C(=CC=C2)OCCO3.[Cl-]

InChI

InChI=1S/C12H16N2O2.ClH/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12;/h1-3,13H,4-9H2;1H