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

Systemtic Name: 2-[[3-chloranyl-4-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(cyclopentylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-(cyclopentylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H36ClN3O2+2 MolecularWeight: 409.99314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3CCCC3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3CCCC3)Cl

InChI

InChI=1S/C22H34ClN3O2/c1-25(2)14-11-24-22(27)18-7-8-21(20(23)15-18)28-19-9-12-26(13-10-19)16-17-5-3-4-6-17/h7-8,15,17,19H,3-6,9-14,16H2,1-2H3,(H,24,27)/p+2