N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]propionamide Formula: C18H27ClFN2OS+ MolecularWeight: 373.936183

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)CCC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)CCC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H26ClFN2OS/c1-13(12-24-2)22-9-7-14(8-10-22)3-6-18(23)21-15-4-5-17(20)16(19)11-15/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,21,23)/p+1/t13-/m0/s1