2-[4-[(E)-2-(2-bromophenyl)ethenyl]-2-(4-methylpyridin-2-yl)pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[4-[(E)-2-(2-bromophenyl)ethenyl]-2-(4-methylpyridin-2-yl)pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[4-[(E)-2-(2-bromophenyl)vinyl]-2-(4-methyl-2-pyridyl)pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[4-[(E)-2-(2-bromophenyl)ethenyl]-2-(4-methyl-2-pyridinyl)-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[4-[(E)-2-(2-bromophenyl)ethenyl]-2-(4-methylpyridin-2-yl)pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[4-[(E)-2-(2-bromophenyl)vinyl]-2-(4-methyl-2-pyridyl)pyridin-1-ium-1-yl]ethylamine Formula: C21H21BrN3+ MolecularWeight: 395.31554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)C=CC3=CC=CC=C3Br)CCN

Isomeric SMILES

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)/C=C/C3=CC=CC=C3Br)CCN

InChI

InChI=1S/C21H21BrN3/c1-16-8-11-24-20(14-16)21-15-17(9-12-25(21)13-10-23)6-7-18-4-2-3-5-19(18)22/h2-9,11-12,14-15H,10,13,23H2,1H3/q+1/b7-6+