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

Systemtic Name: 2-[[3-chloranyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H32ClN5O2+2 MolecularWeight: 421.96408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C21H30ClN5O2/c1-25(2)11-8-23-21(28)17-4-5-20(19(22)12-17)29-18-6-9-27(10-7-18)15-16-13-24-26(3)14-16/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,23,28)/p+2