6-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylpyridazin-3-olate

Systemtic Name: 6-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylpyridazin-3-olate Openeye Name: 6-[4-[2-(2-chloroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]pyridazin-3-olate CAS Name: 6-[[4-[2-(2-chloroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]pyridazin-3-olate Traditional Name: 6-[4-[2-(2-chloroanilino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]pyridazin-3-olate Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C17H18ClN5O3/c18-12-3-1-2-4-13(12)19-16(25)11-22-7-9-23(10-8-22)17(26)14-5-6-15(24)21-20-14/h1-6H,7-11H2,(H,19,25)(H,21,24)