3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2R)-2-oxidanylbutyl]benzamide

Systemtic Name: 3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2R)-2-oxidanylbutyl]benzamide Openeye Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2R)-2-hydroxybutyl]benzamide CAS Name: 3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[(2R)-2-hydroxybutyl]benzamide IUPAC Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2R)-2-hydroxybutyl]benzamide Traditional Name: 3-chloro-N-[(2R)-2-hydroxybutyl]-4-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C21H34ClN2O3+ MolecularWeight: 397.95926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN2O3/c1-5-16(25)13-23-20(26)15-6-7-19(18(22)12-15)27-17-8-10-24(11-9-17)14-21(2,3)4/h6-7,12,16-17,25H,5,8-11,13-14H2,1-4H3,(H,23,26)/p+1/t16-/m1/s1