tert-butyl 4-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4,5-dichloro-6-oxo-pyridazin-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4,5-dichloro-6-oxo-1-pyridazinyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C14H21Cl2N4O3+ MolecularWeight: 364.24754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C(=O)C(=C(C=N2)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C(=O)C(=C(C=N2)Cl)Cl

InChI

InChI=1S/C14H20Cl2N4O3/c1-14(2,3)23-13(22)19-6-4-18(5-7-19)9-20-12(21)11(16)10(15)8-17-20/h8H,4-7,9H2,1-3H3/p+1