N-tert-butyl-5-chloranyl-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-tert-butyl-5-chloranyl-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-tert-butyl-5-chloro-2-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-tert-butyl-5-chloro-2-[[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-tert-butyl-5-chloro-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-tert-butyl-5-chloro-2-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C20H32ClN2O2S+ MolecularWeight: 399.99828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C20H31ClN2O2S/c1-14(13-26-5)23-10-8-16(9-11-23)25-18-7-6-15(21)12-17(18)19(24)22-20(2,3)4/h6-7,12,14,16H,8-11,13H2,1-5H3,(H,22,24)/p+1/t14-/m0/s1