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

Systemtic Name: 2-[[3-chloranyl-4-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C23H36ClN5O2+2 MolecularWeight: 450.01724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

C[C@H](CCN1C=CC=N1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C23H34ClN5O2/c1-18(7-15-29-12-4-10-26-29)28-13-8-20(9-14-28)31-22-6-5-19(17-21(22)24)23(30)25-11-16-27(2)3/h4-6,10,12,17-18,20H,7-9,11,13-16H2,1-3H3,(H,25,30)/p+2/t18-/m1/s1