5-chloranyl-4-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 4-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-5-chloro-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 4-(4-benzyl-4-methylpiperazin-4-ium-1-yl)-5-chloro-1H-pyridazin-6-one Traditional Name: 4-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-5-chloro-1H-pyridazin-6-one Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C(C(=O)NN=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C(C(=O)NN=C2)Cl)CC3=CC=CC=C3

InChI

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