6-(4-nitrophenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one

Systemtic Name: 6-(4-nitrophenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Openeye Name: 6-(4-nitrophenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one CAS Name: 6-(4-nitrophenyl)-2-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridazinone IUPAC Name: 6-(4-nitrophenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Traditional Name: 6-(4-nitrophenyl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c22-17-9-8-16(14-4-6-15(7-5-14)21(23)24)18-20(17)13-12-19-10-2-1-3-11-19/h4-9H,1-3,10-13H2/p+1