3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 3-[[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O2S/c1-17(16-28-2)25-12-9-20(10-13-25)27-21-8-5-6-18(14-21)22(26)24-15-19-7-3-4-11-23-19/h3-8,11,14,17,20H,9-10,12-13,15-16H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1