4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium

Systemtic Name: 4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium Openeye Name: 1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]-4-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-[(2S)-1-(methylthio)propan-2-yl]piperidin-1-ium IUPAC Name: 4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium Traditional Name: 1-[(1S)-1-methyl-2-(methylthio)ethyl]-4-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C19H28N3S+ MolecularWeight: 330.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CC[NH+](CC3)C(C)CSC

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)C3CC[NH+](CC3)[C@@H](C)CSC

InChI

InChI=1S/C19H27N3S/c1-14-6-4-5-7-17(14)18-12-20-21-19(18)16-8-10-22(11-9-16)15(2)13-23-3/h4-7,12,15-16H,8-11,13H2,1-3H3,(H,20,21)/p+1/t15-/m0/s1