3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyridazine

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyridazine Openeye Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyridazine CAS Name: 3-[2-(1-piperidin-1-iumyl)ethylthio]-6-(3,4,5-trimethoxyphenyl)pyridazine IUPAC Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyridazine Traditional Name: 3-(2-piperidin-1-ium-1-ylethylthio)-6-(3,4,5-trimethoxyphenyl)pyridazine Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-24-17-13-15(14-18(25-2)20(17)26-3)16-7-8-19(22-21-16)27-12-11-23-9-5-4-6-10-23/h7-8,13-14H,4-6,9-12H2,1-3H3/p+1