ethyl 2-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 2-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate Openeye Name: ethyl 2-[4-[(E)-2-(3-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]propanoate CAS Name: 2-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate Traditional Name: 2-[4-[(E)-2-(3-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]propionic acid ethyl ester Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-3-22-18(21)14(2)19-11-9-15(10-12-19)7-8-16-5-4-6-17(20)13-16/h4-14H,3H2,1-2H3/p+1/b8-7+