2-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-pyridazin-3-one CAS Name: 2-methyl-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridazinone IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methylpyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-pyridazin-3-one Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c1-19-16(22)8-7-15(18-19)17(23)21-11-9-20(10-12-21)13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3/p+1