ethyl 4-[4-[(E)-2-(4-methanoylphenyl)ethenyl]pyridin-1-ium-1-yl]butanoate

Systemtic Name: ethyl 4-[4-[(E)-2-(4-methanoylphenyl)ethenyl]pyridin-1-ium-1-yl]butanoate Openeye Name: ethyl 4-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]butanoate CAS Name: 4-[4-[(E)-2-(4-formylphenyl)ethenyl]-1-pyridin-1-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-2-(4-formylphenyl)ethenyl]pyridin-1-ium-1-yl]butanoate Traditional Name: 4-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]butyric acid ethyl ester Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O

Isomeric SMILES

CCOC(=O)CCC[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C=O

InChI

InChI=1S/C20H22NO3/c1-2-24-20(23)4-3-13-21-14-11-18(12-15-21)6-5-17-7-9-19(16-22)10-8-17/h5-12,14-16H,2-4,13H2,1H3/q+1/b6-5+