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

Systemtic Name: 2-[[3-chloranyl-4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H34ClN3O2S+2 MolecularWeight: 428.03156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCSCC3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCSCC3)Cl

InChI

InChI=1S/C21H32ClN3O2S/c1-24(2)12-9-23-21(26)16-3-4-20(19(22)15-16)27-18-5-10-25(11-6-18)17-7-13-28-14-8-17/h3-4,15,17-18H,5-14H2,1-2H3,(H,23,26)/p+2