4-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-(phenylmethyl)pyridazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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