1-pyrrolidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenyl)ethanoate chloride

Systemtic Name: 1-pyrrolidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenyl)ethanoate chloride Openeye Name: (1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl) 2-(4-methoxyphenyl)acetate chloride CAS Name: 2-(4-methoxyphenyl)acetic acid 1-(1-pyrrolidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-pyrrolidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate chloride Traditional Name: 2-(4-methoxyphenyl)acetic acid (1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl) ester chloride Formula: C16H24ClNO3 MolecularWeight: 313.81966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1)OC(=O)CC2=CC=C(C=C2)OC.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCC1)OC(=O)CC2=CC=C(C=C2)OC.[Cl-]

InChI

InChI=1S/C16H23NO3.ClH/c1-13(12-17-9-3-4-10-17)20-16(18)11-14-5-7-15(19-2)8-6-14;/h5-8,13H,3-4,9-12H2,1-2H3;1H