3-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-1H-pyridazin-6-one CAS Name: 3-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-1H-pyridazin-6-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-1H-pyridazin-6-one Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=O)NN=C3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=O)NN=C3C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-20-15-19(21(23-22-20)18-9-5-2-6-10-18)25-13-11-24(12-14-25)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,26)/p+1