3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C17H31N4OS+ MolecularWeight: 339.51924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)C(C)CSC

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CC(C)C

InChI

InChI=1S/C17H30N4OS/c1-13(2)11-17(22)19-16-5-8-18-21(16)15-6-9-20(10-7-15)14(3)12-23-4/h5,8,13-15H,6-7,9-12H2,1-4H3,(H,19,22)/p+1/t14-/m0/s1