3-(4-methylphenyl)-6-piperidin-1-ium-4-ylsulfanyl-pyridazine

Systemtic Name: 3-(4-methylphenyl)-6-piperidin-1-ium-4-ylsulfanyl-pyridazine Openeye Name: 3-piperidin-1-ium-4-ylsulfanyl-6-(p-tolyl)pyridazine CAS Name: 3-(4-methylphenyl)-6-(4-piperidin-1-iumylthio)pyridazine IUPAC Name: 3-(4-methylphenyl)-6-piperidin-1-ium-4-ylsulfanylpyridazine Traditional Name: 3-(piperidin-1-ium-4-ylthio)-6-(p-tolyl)pyridazine Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SC3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SC3CC[NH2+]CC3

InChI

InChI=1S/C16H19N3S/c1-12-2-4-13(5-3-12)15-6-7-16(19-18-15)20-14-8-10-17-11-9-14/h2-7,14,17H,8-11H2,1H3/p+1