2-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[(E)-2-(4-methoxycarbonylphenyl)vinyl]pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[(E)-2-(4-carbomethoxyphenyl)vinyl]pyridin-1-ium-1-yl]acetic acid Formula: C17H16NO4+ MolecularWeight: 298.31324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CC(=O)O

InChI

InChI=1S/C17H15NO4/c1-22-17(21)14-8-5-13(6-9-14)7-10-15-4-2-3-11-18(15)12-16(19)20/h2-11H,12H2,1H3/p+1/b10-7+