2-[2-(4-methylpyridin-2-yl)-4-[(E)-2-pyren-4-ylethenyl]pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[2-(4-methylpyridin-2-yl)-4-[(E)-2-pyren-4-ylethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[2-(4-methyl-2-pyridyl)-4-[(E)-2-pyren-4-ylvinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[2-(4-methyl-2-pyridinyl)-4-[(E)-2-(4-pyrenyl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[2-(4-methylpyridin-2-yl)-4-[(E)-2-pyren-4-ylethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[2-(4-methyl-2-pyridyl)-4-[(E)-2-pyren-4-ylvinyl]pyridin-1-ium-1-yl]ethylamine Formula: C31H26N3+ MolecularWeight: 440.55824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)C=CC3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5)CCN

Isomeric SMILES

CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)/C=C/C3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5)CCN

InChI

InChI=1S/C31H26N3/c1-21-12-15-33-28(18-21)29-19-22(13-16-34(29)17-14-32)8-9-25-20-26-6-2-4-23-10-11-24-5-3-7-27(25)31(24)30(23)26/h2-13,15-16,18-20H,14,17,32H2,1H3/q+1/b9-8+