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

Systemtic Name: 3-(4-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Openeye Name: 3-(4-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine CAS Name: 3-(4-nitrophenyl)-6-[2-(1-piperidin-1-iumyl)ethylthio]pyridazine IUPAC Name: 3-(4-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Traditional Name: 3-(4-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylthio)pyridazine Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2S/c22-21(23)15-6-4-14(5-7-15)16-8-9-17(19-18-16)24-13-12-20-10-2-1-3-11-20/h4-9H,1-3,10-13H2/p+1