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

Systemtic Name: 3-[4-[(Z)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]propionic acid Formula: C17H18NO4+ MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=[N+](C=C2)CCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\C2=CC=[N+](C=C2)CCC(=O)O)O

InChI

InChI=1S/C17H17NO4/c1-22-16-12-14(4-5-15(16)19)3-2-13-6-9-18(10-7-13)11-8-17(20)21/h2-7,9-10,12H,8,11H2,1H3,(H,20,21)/p+1