2-(3-chlorophenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one

Systemtic Name: 2-(3-chlorophenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Openeye Name: 2-(3-chlorophenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one CAS Name: 2-(3-chlorophenyl)-3,4-dimethyl-6-[2-(1-piperidin-1-iumyl)ethyl]-7-pyrazolo[3,4-d]pyridazinone IUPAC Name: 2-(3-chlorophenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Traditional Name: 2-(3-chlorophenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Formula: C20H25ClN5O+ MolecularWeight: 386.8984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC(=CC=C3)Cl)CC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC(=CC=C3)Cl)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C20H24ClN5O/c1-14-18-15(2)26(17-8-6-7-16(21)13-17)23-19(18)20(27)25(22-14)12-11-24-9-4-3-5-10-24/h6-8,13H,3-5,9-12H2,1-2H3/p+1