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

Systemtic Name: 3-(4-bromophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Openeye Name: 3-(4-bromophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine CAS Name: 3-(4-bromophenyl)-6-[2-(1-piperidin-1-iumyl)ethylthio]pyridazine IUPAC Name: 3-(4-bromophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Traditional Name: 3-(4-bromophenyl)-6-(2-piperidin-1-ium-1-ylethylthio)pyridazine Formula: C17H21BrN3S+ MolecularWeight: 379.33774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3S/c18-15-6-4-14(5-7-15)16-8-9-17(20-19-16)22-13-12-21-10-2-1-3-11-21/h4-9H,1-3,10-13H2/p+1