4-chloranyl-2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-2-methyl-pyridazin-3-one CAS Name: 4-chloro-2-methyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-2-methylpyridazin-3-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-2-methyl-pyridazin-3-one Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CN1C(=O)C(=C(C=N1)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H19ClN4O/c1-19-16(22)15(17)14(11-18-19)21-9-7-20(8-10-21)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1