2-(2-piperidin-1-ium-1-ylethyl)-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethyl)-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one Openeye Name: 2-(2-piperidin-1-ium-1-ylethyl)-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one CAS Name: 2-[2-(1-piperidin-1-iumyl)ethyl]-6-(3,4,5-trimethoxyphenyl)-3-pyridazinone IUPAC Name: 2-(2-piperidin-1-ium-1-ylethyl)-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one Traditional Name: 2-(2-piperidin-1-ium-1-ylethyl)-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)C=C2)CC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)C=C2)CC[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-25-17-13-15(14-18(26-2)20(17)27-3)16-7-8-19(24)23(21-16)12-11-22-9-5-4-6-10-22/h7-8,13-14H,4-6,9-12H2,1-3H3/p+1