2-[[3-chloranyl-4-[1-[(2S)-5-methoxy-5-oxidanylidene-pentan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[1-[(2S)-5-methoxy-5-oxidanylidene-pentan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(1S)-4-methoxy-1-methyl-4-oxo-butyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(2S)-5-methoxy-5-oxopentan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(2S)-5-methoxy-5-oxopentan-2-yl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(1S)-4-keto-4-methoxy-1-methyl-butyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H36ClN3O4+2 MolecularWeight: 441.99194

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

C[C@@H](CCC(=O)OC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C22H34ClN3O4/c1-16(5-8-21(27)29-4)26-12-9-18(10-13-26)30-20-7-6-17(15-19(20)23)22(28)24-11-14-25(2)3/h6-7,15-16,18H,5,8-14H2,1-4H3,(H,24,28)/p+2/t16-/m0/s1