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

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl (E)-3-phenylprop-2-enoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) (E)-3-phenylprop-2-enoate chloride CAS Name: (E)-3-phenyl-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-phenylprop-2-enoate chloride Traditional Name: (E)-3-phenylacrylic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C=CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2.ClH/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16;/h2,4-5,8-11,15H,3,6-7,12-14H2,1H3;1H/b11-10+;