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

Systemtic Name: 2-methyl-5-[4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 5-[4-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 2-methyl-5-[4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 5-[4-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C17H27N6O+ MolecularWeight: 331.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

InChI

InChI=1S/C17H26N6O/c1-13(2)8-14-9-15(20-19-14)12-22-4-6-23(7-5-22)16-10-17(24)21(3)18-11-16/h9-11,13H,4-8,12H2,1-3H3,(H,19,20)/p+1