2-[2,6-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[2,6-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[2,6-bis[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[2,6-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[2,6-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[2,6-bis[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]ethylamine Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=[N+](C(=CC=C2)C=CC3=CC(=C(C=C3)OC)OC)CCN)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N2O4/c1-30-24-14-10-20(18-26(24)32-3)8-12-22-6-5-7-23(29(22)17-16-28)13-9-21-11-15-25(31-2)27(19-21)33-4/h5-15,18-19H,16-17,28H2,1-4H3/q+1/b12-8+,13-9+