2-(3-methoxyphenyl)-3,4-dimethyl-7-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine

Systemtic Name: 2-(3-methoxyphenyl)-3,4-dimethyl-7-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine Openeye Name: 2-(3-methoxyphenyl)-3,4-dimethyl-7-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine CAS Name: 2-(3-methoxyphenyl)-3,4-dimethyl-7-[2-(1-piperidin-1-iumyl)ethylthio]pyrazolo[3,4-d]pyridazine IUPAC Name: 2-(3-methoxyphenyl)-3,4-dimethyl-7-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine Traditional Name: 2-(3-methoxyphenyl)-3,4-dimethyl-7-(2-piperidin-1-ium-1-ylethylthio)pyrazolo[3,4-d]pyridazine Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS/c1-15-19-16(2)26(17-8-7-9-18(14-17)27-3)24-20(19)21(23-22-15)28-13-12-25-10-5-4-6-11-25/h7-9,14H,4-6,10-13H2,1-3H3/p+1