[(2R)-1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-yl] ethanoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-yl] ethanoate Openeye Name: [(1R)-1-[(2-allylphenoxy)methyl]-2-piperidin-1-ium-1-yl-ethyl] acetate CAS Name: acetic acid [(2R)-1-(1-piperidin-1-iumyl)-3-(2-prop-2-enylphenoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-[(2-allylphenoxy)methyl]-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[NH+]1CCCCC1)COC2=CC=CC=C2CC=C

Isomeric SMILES

CC(=O)O[C@H](C[NH+]1CCCCC1)COC2=CC=CC=C2CC=C

InChI

InChI=1S/C19H27NO3/c1-3-9-17-10-5-6-11-19(17)22-15-18(23-16(2)21)14-20-12-7-4-8-13-20/h3,5-6,10-11,18H,1,4,7-9,12-15H2,2H3/p+1/t18-/m1/s1