3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: 3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-ethyl-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-ethyl-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 3-chloro-N-ethyl-4-(1-neopentylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Formula: C24H36ClN4O2+ MolecularWeight: 448.02124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)CC(C)(C)C)Cl

Isomeric SMILES

CCN(CCN1C=CC=N1)C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)CC(C)(C)C)Cl

InChI

InChI=1S/C24H35ClN4O2/c1-5-28(15-16-29-12-6-11-26-29)23(30)19-7-8-22(21(25)17-19)31-20-9-13-27(14-10-20)18-24(2,3)4/h6-8,11-12,17,20H,5,9-10,13-16,18H2,1-4H3/p+1