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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34ClN5O2/c1-5-29-16-19(17(2)26-29)15-28-11-8-20(9-12-28)31-22-7-6-18(14-21(22)24)23(30)25-10-13-27(3)4/h6-7,14,16,20H,5,8-13,15H2,1-4H3,(H,25,30)/p+2