[(2R)-4-methyl-4-piperidin-1-ium-1-yl-pentan-2-yl] ethanoate

Systemtic Name: [(2R)-4-methyl-4-piperidin-1-ium-1-yl-pentan-2-yl] ethanoate Openeye Name: [(1R)-1,3-dimethyl-3-piperidin-1-ium-1-yl-butyl] acetate CAS Name: acetic acid [(2R)-4-methyl-4-(1-piperidin-1-iumyl)pentan-2-yl] ester IUPAC Name: [(2R)-4-methyl-4-piperidin-1-ium-1-ylpentan-2-yl] acetate Traditional Name: acetic acid [(1R)-1,3-dimethyl-3-piperidin-1-ium-1-yl-butyl] ester Formula: C13H26NO2+ MolecularWeight: 228.35104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)[NH+]1CCCCC1)OC(=O)C

Isomeric SMILES

C[C@H](CC(C)(C)[NH+]1CCCCC1)OC(=O)C

InChI

InChI=1S/C13H25NO2/c1-11(16-12(2)15)10-13(3,4)14-8-6-5-7-9-14/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1