2,4-bis(bromanyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenolate Openeye Name: 2,4-dibromo-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenolate CAS Name: 2,4-dibromo-6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenolate IUPAC Name: 2,4-dibromo-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenolate Traditional Name: 2,4-dibromo-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenolate Formula: C16H15Br2N3O2 MolecularWeight: 441.1172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC(=C3[O-])Br)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC(=C3[O-])Br)Br

InChI

InChI=1S/C16H15Br2N3O2/c17-11-9-12(15(22)13(18)10-11)16(23)21-7-5-20(6-8-21)14-3-1-2-4-19-14/h1-4,9-10,22H,5-8H2