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

Systemtic Name: 3-(2,4-dimethylphenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Openeye Name: 3-(2,4-dimethylphenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine CAS Name: 3-(2,4-dimethylphenyl)-6-[2-(1-piperidin-1-iumyl)ethylthio]pyridazine IUPAC Name: 3-(2,4-dimethylphenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine Traditional Name: 3-(2,4-dimethylphenyl)-6-(2-piperidin-1-ium-1-ylethylthio)pyridazine Formula: C19H26N3S+ MolecularWeight: 328.49484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC[NH+]3CCCCC3)C

InChI

InChI=1S/C19H25N3S/c1-15-6-7-17(16(2)14-15)18-8-9-19(21-20-18)23-13-12-22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3/p+1