2-[[3-chloranyl-4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H34ClN3O2S+2 MolecularWeight: 416.02086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN3O2S/c1-15(14-27-4)24-10-7-17(8-11-24)26-19-6-5-16(13-18(19)21)20(25)22-9-12-23(2)3/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,22,25)/p+2/t15-/m0/s1