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

Systemtic Name: 3-[4-[(Z)-2-(3-ethoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-[(Z)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-[(Z)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[4-[(Z)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-[(Z)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]propionic acid Formula: C18H20NO4+ MolecularWeight: 314.3557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-2-23-17-13-15(5-6-16(17)20)4-3-14-7-10-19(11-8-14)12-9-18(21)22/h3-8,10-11,13H,2,9,12H2,1H3,(H,21,22)/p+1