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

Systemtic Name: 3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2R)-3-methoxy-2-oxidanyl-propyl]benzamide Openeye Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2R)-2-hydroxy-3-methoxy-propyl]benzamide CAS Name: 3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[(2R)-2-hydroxy-3-methoxypropyl]benzamide IUPAC Name: 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(2R)-2-hydroxy-3-methoxypropyl]benzamide Traditional Name: 3-chloro-N-[(2R)-2-hydroxy-3-methoxy-propyl]-4-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C21H34ClN2O4+ MolecularWeight: 413.95866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC(COC)O)Cl

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC[C@H](COC)O)Cl

InChI

InChI=1S/C21H33ClN2O4/c1-21(2,3)14-24-9-7-17(8-10-24)28-19-6-5-15(11-18(19)22)20(26)23-12-16(25)13-27-4/h5-6,11,16-17,25H,7-10,12-14H2,1-4H3,(H,23,26)/p+1/t16-/m1/s1