3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-pyridin-4-yl-pyridazine

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-pyridin-4-yl-pyridazine Openeye Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(4-pyridyl)pyridazine CAS Name: 3-[2-(1-piperidin-1-iumyl)ethylthio]-6-pyridin-4-ylpyridazine IUPAC Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-pyridin-4-ylpyridazine Traditional Name: 3-(2-piperidin-1-ium-1-ylethylthio)-6-(4-pyridyl)pyridazine Formula: C16H21N4S+ MolecularWeight: 301.42974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C16H20N4S/c1-2-10-20(11-3-1)12-13-21-16-5-4-15(18-19-16)14-6-8-17-9-7-14/h4-9H,1-3,10-13H2/p+1