4-chloranyl-2-methyl-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 4-chloranyl-2-methyl-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 4-chloro-2-methyl-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 4-chloro-2-methyl-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 4-chloro-2-methyl-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 4-chloro-2-methyl-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C9H14ClN4O+ MolecularWeight: 229.68666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)N2CC[NH2+]CC2)Cl

Isomeric SMILES

CN1C(=O)C(=C(C=N1)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C9H13ClN4O/c1-13-9(15)8(10)7(6-12-13)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3/p+1