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

Systemtic Name: 5-[2-[(E)-2-(3-ethoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[2-[(E)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[2-[(E)-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=CC=[N+]2CCCCC(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC=CC=[N+]2CCCCC(=O)O)O

InChI

InChI=1S/C20H23NO4/c1-2-25-19-15-16(10-12-18(19)22)9-11-17-7-3-5-13-21(17)14-6-4-8-20(23)24/h3,5,7,9-13,15H,2,4,6,8,14H2,1H3,(H,23,24)/p+1