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

Systemtic Name: 2-[[3-chloranyl-4-[1-(1-ethylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-(1-ethylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(1-ethyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(1-ethylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-(1-ethylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C23H40ClN4O2+3 MolecularWeight: 440.0423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C23H37ClN4O2/c1-4-27-12-7-19(8-13-27)28-14-9-20(10-15-28)30-22-6-5-18(17-21(22)24)23(29)25-11-16-26(2)3/h5-6,17,19-20H,4,7-16H2,1-3H3,(H,25,29)/p+3