4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-2-one Formula: C13H16ClN2O3+ MolecularWeight: 283.73074

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C13H15ClN2O3/c14-11-3-9(5-16-2-1-15-12(17)6-16)13-10(4-11)7-18-8-19-13/h3-4H,1-2,5-8H2,(H,15,17)/p+1