5-(4-methylpiperazin-4-ium-1-yl)-2-[(2-pyrazol-1-ylphenyl)methyl]pyridazin-3-one

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(2-pyrazol-1-ylphenyl)methyl]pyridazin-3-one Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(2-pyrazol-1-ylphenyl)methyl]pyridazin-3-one CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-[[2-(1-pyrazolyl)phenyl]methyl]-3-pyridazinone IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(2-pyrazol-1-ylphenyl)methyl]pyridazin-3-one Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyrazol-1-ylbenzyl)pyridazin-3-one Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C19H22N6O/c1-22-9-11-23(12-10-22)17-13-19(26)25(21-14-17)15-16-5-2-3-6-18(16)24-8-4-7-20-24/h2-8,13-14H,9-12,15H2,1H3/p+1