1-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl (E)-3-phenylprop-2-enoate chloride

Systemtic Name: 1-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl (E)-3-phenylprop-2-enoate chloride Openeye Name: 1-(3-carbamoylpyridin-1-ium-1-yl)ethyl (E)-3-phenylprop-2-enoate chloride CAS Name: (E)-3-phenyl-2-propenoic acid 1-(3-carbamoyl-1-pyridin-1-iumyl)ethyl ester chloride IUPAC Name: 1-(3-carbamoylpyridin-1-ium-1-yl)ethyl (E)-3-phenylprop-2-enoate chloride Traditional Name: (E)-3-phenylacrylic acid 1-(3-carbamoylpyridin-1-ium-1-yl)ethyl ester chloride Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1=CC=CC(=C1)C(=O)N)OC(=O)C=CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC([N+]1=CC=CC(=C1)C(=O)N)OC(=O)/C=C/C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H16N2O3.ClH/c1-13(19-11-5-8-15(12-19)17(18)21)22-16(20)10-9-14-6-3-2-4-7-14;/h2-13H,1H3,(H-,18,21);1H/b10-9+;