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

Systemtic Name: N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(1R)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(2R)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[(1R)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C[C@H](CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H32N4OS/c1-18(17-28-2)25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11,14,18,20H,6,9-10,12-13,15-17H2,1-2H3,(H,24,27)/p+1/t18-/m1/s1