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

Systemtic Name: N-butyl-3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-methyl-benzamide Openeye Name: N-butyl-3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-methyl-benzamide CAS Name: N-butyl-3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-methylbenzamide IUPAC Name: N-butyl-3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-methylbenzamide Traditional Name: N-butyl-3-chloro-N-methyl-4-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C22H36ClN2O2+ MolecularWeight: 395.98644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35ClN2O2/c1-6-7-12-24(5)21(26)17-8-9-20(19(23)15-17)27-18-10-13-25(14-11-18)16-22(2,3)4/h8-9,15,18H,6-7,10-14,16H2,1-5H3/p+1