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

Systemtic Name: 2-[[3-chloranyl-4-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[[1-(3-methylsulfanylpropanoyl)-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[[1-[3-(methylthio)propanoyl]-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CCN(CC2)C(=O)CCSC)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CCN(CC2)C(=O)CCSC)Cl

InChI

InChI=1S/C20H30ClN3O3S/c1-23(2)12-9-22-20(26)15-4-5-18(17(21)14-15)27-16-6-10-24(11-7-16)19(25)8-13-28-3/h4-5,14,16H,6-13H2,1-3H3,(H,22,26)/p+1