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

Systemtic Name: 2-[2,6-bis[(E)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[2,6-bis[(E)-2-(m-tolyl)vinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[2,6-bis[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[2,6-bis[(E)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[2,6-bis[(E)-2-(m-tolyl)vinyl]pyridin-1-ium-1-yl]ethylamine Formula: C25H27N2+ MolecularWeight: 355.49528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC2=[N+](C(=CC=C2)C=CC3=CC(=CC=C3)C)CCN

Isomeric SMILES

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

InChI

InChI=1S/C25H27N2/c1-20-6-3-8-22(18-20)12-14-24-10-5-11-25(27(24)17-16-26)15-13-23-9-4-7-21(2)19-23/h3-15,18-19H,16-17,26H2,1-2H3/q+1/b14-12+,15-13+