5-[4-[(Z)-2-(3-ethoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid

Systemtic Name: 5-[4-[(Z)-2-(3-ethoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[4-[(Z)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[4-[(Z)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[4-[(Z)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[4-[(Z)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]valeric acid Formula: C20H24NO4+ MolecularWeight: 342.40886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC=[N+](C=C2)CCCCC(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\C2=CC=[N+](C=C2)CCCCC(=O)O)O

InChI

InChI=1S/C20H23NO4/c1-2-25-19-15-17(8-9-18(19)22)7-6-16-10-13-21(14-11-16)12-4-3-5-20(23)24/h6-11,13-15H,2-5,12H2,1H3,(H,23,24)/p+1