3-chloranyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Openeye Name: 3-chloro-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide CAS Name: 3-chloro-N-[3-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Traditional Name: 3-chloro-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Formula: C22H23ClN5O+ MolecularWeight: 408.90392

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O/c1-27-10-12-28(13-11-27)21-9-8-20(25-26-21)16-4-3-7-19(15-16)24-22(29)17-5-2-6-18(23)14-17/h2-9,14-15H,10-13H2,1H3,(H,24,29)/p+1