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

Systemtic Name: [1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-yl] ethanoate chloride Openeye Name: [1-[(2-allylphenoxy)methyl]-2-piperidin-1-ium-1-yl-ethyl] acetate chloride CAS Name: acetic acid [1-(1-piperidin-1-iumyl)-3-(2-prop-2-enylphenoxy)propan-2-yl] ester chloride IUPAC Name: [1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-yl] acetate chloride Traditional Name: acetic acid [1-[(2-allylphenoxy)methyl]-2-piperidin-1-ium-1-yl-ethyl] ester chloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO3.ClH/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;1H