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

Systemtic Name: 2-[[3-chloranyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(1-isopropylpyrazol-4-yl)methyl]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(C)N1C=C(C=N1)C[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C23H34ClN5O2/c1-17(2)29-16-18(14-26-29)15-28-10-7-20(8-11-28)31-22-6-5-19(13-21(22)24)23(30)25-9-12-27(3)4/h5-6,13-14,16-17,20H,7-12,15H2,1-4H3,(H,25,30)/p+2