2-[2,6-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[2,6-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[2,6-bis[(E)-2-(2-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[2,6-bis[(E)-2-(2-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[2,6-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[2,6-bis[(E)-2-(2-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethylamine Formula: C25H27N2O2+ MolecularWeight: 387.49408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC2=[N+](C(=CC=C2)C=CC3=CC=CC=C3OC)CCN

Isomeric SMILES

COC1=CC=CC=C1/C=C/C2=[N+](C(=CC=C2)/C=C/C3=CC=CC=C3OC)CCN

InChI

InChI=1S/C25H27N2O2/c1-28-24-12-5-3-8-20(24)14-16-22-10-7-11-23(27(22)19-18-26)17-15-21-9-4-6-13-25(21)29-2/h3-17H,18-19,26H2,1-2H3/q+1/b16-14+,17-15+