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

Systemtic Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]acetic acid Formula: C17H18NO4+ MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC=CC=[N+]2CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC=CC=[N+]2CC(=O)O)OC

InChI

InChI=1S/C17H17NO4/c1-21-15-9-7-13(11-16(15)22-2)6-8-14-5-3-4-10-18(14)12-17(19)20/h3-11H,12H2,1-2H3/p+1/b8-6+