3-(3,4-dimethoxyphenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Openeye Name: 3-(3,4-dimethoxyphenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine CAS Name: 3-(3,4-dimethoxyphenyl)-6-[2-(1-piperidin-1-iumyl)ethylthio]pyridazine IUPAC Name: 3-(3,4-dimethoxyphenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Traditional Name: 3-(3,4-dimethoxyphenyl)-6-(2-piperidin-1-ium-1-ylethylthio)pyridazine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC[NH+]3CCCCC3)OC

InChI

InChI=1S/C19H25N3O2S/c1-23-17-8-6-15(14-18(17)24-2)16-7-9-19(21-20-16)25-13-12-22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3/p+1