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

Systemtic Name: ethyl 4-[4-[(E)-2-(4-methanoylphenyl)ethenyl]pyridin-1-ium-1-yl]butanoate bromide Openeye Name: ethyl 4-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]butanoate bromide CAS Name: 4-[4-[(E)-2-(4-formylphenyl)ethenyl]-1-pyridin-1-iumyl]butanoic acid ethyl ester bromide IUPAC Name: ethyl 4-[4-[(E)-2-(4-formylphenyl)ethenyl]pyridin-1-ium-1-yl]butanoate bromide Traditional Name: 4-[4-[(E)-2-(4-formylphenyl)vinyl]pyridin-1-ium-1-yl]butyric acid ethyl ester bromide Formula: C20H22BrNO3 MolecularWeight: 404.29758

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO3.BrH/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;1H/q+1;/p-1/b6-5+;