1-piperidin-1-ium-1-ylpropan-2-yl (E)-3-(furan-2-yl)prop-2-enoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl (E)-3-(furan-2-yl)prop-2-enoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) (E)-3-(2-furyl)prop-2-enoate chloride CAS Name: (E)-3-(2-furanyl)-2-propenoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl (E)-3-(furan-2-yl)prop-2-enoate chloride Traditional Name: (E)-3-(2-furyl)acrylic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C15H22ClNO3 MolecularWeight: 299.79308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C=CC2=CC=CO2.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)/C=C/C2=CC=CO2.[Cl-]

InChI

InChI=1S/C15H21NO3.ClH/c1-13(12-16-9-3-2-4-10-16)19-15(17)8-7-14-6-5-11-18-14;/h5-8,11,13H,2-4,9-10,12H2,1H3;1H/b8-7+;