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

Systemtic Name: N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-16(15-26-2)23-12-9-18(10-13-23)24-19(8-11-21-24)22-20(25)14-17-6-4-3-5-7-17/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1