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

Systemtic Name: 2-[[3-chloranyl-4-[1-[(2R)-1-cyclopropylpropan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(2R)-1-cyclopropylpropan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(2R)-1-cyclopropylpropan-2-yl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(1R)-2-cyclopropyl-1-methyl-ethyl]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:

CC(CC1CC1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

C[C@H](CC1CC1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C22H34ClN3O2/c1-16(14-17-4-5-17)26-11-8-19(9-12-26)28-21-7-6-18(15-20(21)23)22(27)24-10-13-25(2)3/h6-7,15-17,19H,4-5,8-14H2,1-3H3,(H,24,27)/p+2/t16-/m1/s1