3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2S)-3-ethoxy-2-oxidanyl-propyl]benzamide

Systemtic Name: 3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2S)-3-ethoxy-2-oxidanyl-propyl]benzamide Openeye Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2S)-3-ethoxy-2-hydroxy-propyl]benzamide CAS Name: 3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide IUPAC Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide Traditional Name: 3-chloro-N-[(2S)-3-ethoxy-2-hydroxy-propyl]-4-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C22H36ClN2O4+ MolecularWeight: 427.98524

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC(C)(C)C)Cl)O

Isomeric SMILES

CCOC[C@H](CNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC(C)(C)C)Cl)O

InChI

InChI=1S/C22H35ClN2O4/c1-5-28-14-17(26)13-24-21(27)16-6-7-20(19(23)12-16)29-18-8-10-25(11-9-18)15-22(2,3)4/h6-7,12,17-18,26H,5,8-11,13-15H2,1-4H3,(H,24,27)/p+1/t17-/m0/s1