2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-4,5-dihydropyridazin-3-one

Systemtic Name: 2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-4,5-dihydropyridazin-3-one Openeye Name: 2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one CAS Name: 6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-phenyl-4,5-dihydropyridazin-3-one IUPAC Name: 2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one Traditional Name: 2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2/c26-19-10-9-17(22-25(19)16-6-2-1-3-7-16)20(27)24-14-12-23(13-15-24)18-8-4-5-11-21-18/h1-8,11H,9-10,12-15H2/p+1