3,4,6-tris(chloranyl)-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-phenolate

Systemtic Name: 3,4,6-tris(chloranyl)-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-phenolate Openeye Name: 3,4,6-trichloro-2-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenolate CAS Name: 3,4,6-trichloro-2-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenolate IUPAC Name: 3,4,6-trichloro-2-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenolate Traditional Name: 3,4,6-trichloro-2-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenolate Formula: C16H14Cl3N3O2 MolecularWeight: 386.66026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C(=CC(=C3Cl)Cl)Cl)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C(=CC(=C3Cl)Cl)Cl)[O-]

InChI

InChI=1S/C16H14Cl3N3O2/c17-11-9-12(18)15(23)13(14(11)19)16(24)22-7-5-21(6-8-22)10-1-3-20-4-2-10/h1-4,9,23H,5-8H2