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

Systemtic Name: 2-[[4-methoxy-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-methoxy-3-[[1-(3-methylsulfanylpropanoyl)-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-methoxy-3-[[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-methoxy-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-methoxy-3-[[1-[3-(methylthio)propanoyl]-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-23(2)13-10-22-21(26)16-5-6-18(27-3)19(15-16)28-17-7-11-24(12-8-17)20(25)9-14-29-4/h5-6,15,17H,7-14H2,1-4H3,(H,22,26)/p+1