3-(1,3-benzodioxol-5-yl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine CAS Name: 3-(1,3-benzodioxol-5-yl)-6-[2-(1-piperidin-1-iumyl)ethylthio]pyridazine IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-(2-piperidin-1-ium-1-ylethylthio)pyridazine Formula: C18H22N3O2S+ MolecularWeight: 344.45118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O2S/c1-2-8-21(9-3-1)10-11-24-18-7-5-15(19-20-18)14-4-6-16-17(12-14)23-13-22-16/h4-7,12H,1-3,8-11,13H2/p+1