[(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ium-4-yl-propan-2-yl] ethanoate

Systemtic Name: [(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ium-4-yl-propan-2-yl] ethanoate Openeye Name: [(1R)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholin-4-ium-4-yl-ethyl] acetate CAS Name: acetic acid [(2R)-1-[2-(1-adamantyl)ethoxy]-3-(4-morpholin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ium-4-ylpropan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholin-4-ium-4-yl-ethyl] ester Formula: C21H36NO4+ MolecularWeight: 366.51484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[NH+]1CCOCC1)COCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)O[C@H](C[NH+]1CCOCC1)COCCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H35NO4/c1-16(23)26-20(14-22-3-6-24-7-4-22)15-25-5-2-21-11-17-8-18(12-21)10-19(9-17)13-21/h17-20H,2-15H2,1H3/p+1/t17?,18?,19?,20-,21?/m1/s1