5-bromanyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-bromo-1H-pyridazin-6-one CAS Name: 5-bromo-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-bromo-1H-pyridazin-6-one Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-bromo-1H-pyridazin-6-one Formula: C21H22BrN4O+ MolecularWeight: 426.32958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=O)NN=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=O)NN=C4)Br

InChI

InChI=1S/C21H21BrN4O/c22-19-18(15-23-24-21(19)27)25-11-13-26(14-12-25)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,24,27)/p+1