2-(phenylmethyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridazin-3-one

Systemtic Name: 2-(phenylmethyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridazin-3-one Openeye Name: 2-benzyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridazin-3-one CAS Name: 6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridazin-3-one Traditional Name: 2-benzyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridazin-3-one Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c27-20-10-9-18(23-26(20)16-17-6-2-1-3-7-17)21(28)25-14-12-24(13-15-25)19-8-4-5-11-22-19/h1-11H,12-16H2/p+1