3-[4-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-22-16-6-5-15(13-17(16)23-2)4-3-14-7-10-19(11-8-14)12-9-18(20)21/h3-8,10-11,13H,9,12H2,1-2H3/p+1/b4-3-