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

Systemtic Name: (3-aminocarbonylpyridin-1-ium-1-yl)methyl (E)-3-phenylprop-2-enoate chloride Openeye Name: (3-carbamoylpyridin-1-ium-1-yl)methyl (E)-3-phenylprop-2-enoate chloride CAS Name: (E)-3-phenyl-2-propenoic acid (3-carbamoyl-1-pyridin-1-iumyl)methyl ester chloride IUPAC Name: (3-carbamoylpyridin-1-ium-1-yl)methyl (E)-3-phenylprop-2-enoate chloride Traditional Name: (E)-3-phenylacrylic acid (3-carbamoylpyridin-1-ium-1-yl)methyl ester chloride Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OC[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)OC[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

InChI

InChI=1S/C16H14N2O3.ClH/c17-16(20)14-7-4-10-18(11-14)12-21-15(19)9-8-13-5-2-1-3-6-13;/h1-11H,12H2,(H-,17,20);1H/b9-8+;