4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-2-one Formula: C13H16BrN2O3+ MolecularWeight: 328.18174

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C13H15BrN2O3/c14-10-6-12-11(18-3-4-19-12)5-9(10)7-16-2-1-15-13(17)8-16/h5-6H,1-4,7-8H2,(H,15,17)/p+1