4,5-bis(chloranyl)-2-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]pyridazin-3-one Formula: C16H19Cl2N4O+ MolecularWeight: 354.25426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C16H18Cl2N4O/c1-20-7-8-21(14(10-20)12-5-3-2-4-6-12)11-22-16(23)15(18)13(17)9-19-22/h2-6,9,14H,7-8,10-11H2,1H3/p+1/t14-/m1/s1