2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[2-(1-pyrazolylmethyl)phenyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[2-(pyrazol-1-ylmethyl)benzyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C20H24N6O/c1-23-20(27)13-19(14-22-23)25-11-9-24(10-12-25)15-17-5-2-3-6-18(17)16-26-8-4-7-21-26/h2-8,13-14H,9-12,15-16H2,1H3/p+1