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

Systemtic Name: 2-methyl-5-[4-[(5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 5-[4-[(1-allyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 2-methyl-5-[4-[(5-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 5-[4-[(1-allyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C17H25N6O+ MolecularWeight: 329.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC=C)C[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

Isomeric SMILES

CC1=C(C=NN1CC=C)C[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

InChI

InChI=1S/C17H24N6O/c1-4-5-23-14(2)15(11-19-23)13-21-6-8-22(9-7-21)16-10-17(24)20(3)18-12-16/h4,10-12H,1,5-9,13H2,2-3H3/p+1