4-chloranyl-2-phenyl-5-(4-prop-2-enylpiperazin-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-(4-prop-2-enylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 5-(4-allylpiperazin-4-ium-1-yl)-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-(4-prop-2-enyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-(4-prop-2-enylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 5-(4-allylpiperazin-4-ium-1-yl)-4-chloro-2-phenyl-pyridazin-3-one Formula: C17H20ClN4O+ MolecularWeight: 331.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O/c1-2-8-20-9-11-21(12-10-20)15-13-19-22(17(23)16(15)18)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2/p+1