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

Systemtic Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Openeye Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one CAS Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-6-[2-(1-piperidin-1-iumyl)ethyl]-7-pyrazolo[3,4-d]pyridazinone IUPAC Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)pyrazolo[3,4-d]pyridazin-7-one Traditional Name: 3,4-dimethyl-6-(2-piperidin-1-ium-1-ylethyl)-2-p-phenetyl-pyrazolo[3,4-d]pyridazin-7-one Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC[NH+]4CCCCC4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC[NH+]4CCCCC4)C)C

InChI

InChI=1S/C22H29N5O2/c1-4-29-19-10-8-18(9-11-19)27-17(3)20-16(2)23-26(22(28)21(20)24-27)15-14-25-12-6-5-7-13-25/h8-11H,4-7,12-15H2,1-3H3/p+1