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

Systemtic Name: 3-(3-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Openeye Name: 3-(3-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine CAS Name: 3-(3-nitrophenyl)-6-[2-(1-piperidin-1-iumyl)ethylthio]pyridazine IUPAC Name: 3-(3-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Traditional Name: 3-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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