[(2R)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxidanyl-propyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [(2R)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxidanyl-propyl] 2-(1-adamantyl)ethanoate Openeye Name: [(2R)-2-hydroxy-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]propyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [(2R)-2-hydroxy-3-[4-(hydroxymethyl)-1-piperidin-1-iumyl]propyl] ester IUPAC Name: [(2R)-2-hydroxy-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]propyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [(2R)-2-hydroxy-3-(4-methylolpiperidin-1-ium-1-yl)propyl] ester Formula: C21H36NO4+ MolecularWeight: 366.51484

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CO)CC(COC(=O)CC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C1C[NH+](CCC1CO)C[C@H](COC(=O)CC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H35NO4/c23-13-15-1-3-22(4-2-15)12-19(24)14-26-20(25)11-21-8-16-5-17(9-21)7-18(6-16)10-21/h15-19,23-24H,1-14H2/p+1/t16?,17?,18?,19-,21?/m1/s1