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

Systemtic Name: 2-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethylamine Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O2/c1-20-16-6-5-15(13-17(16)21-2)4-3-14-7-10-19(11-8-14)12-9-18/h3-8,10-11,13H,9,12,18H2,1-2H3/q+1/b4-3+