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

Systemtic Name: 2-[2-[(E)-2-(4,6-dihydropyren-1-yl)ethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[2-[(E)-2-(4,6-dihydropyren-1-yl)vinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[2-[(E)-2-(4,6-dihydropyren-1-yl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[2-[(E)-2-(4,6-dihydropyren-1-yl)ethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[2-[(E)-2-(4,6-dihydropyren-1-yl)vinyl]pyridin-1-ium-1-yl]ethylamine Formula: C25H23N2+ MolecularWeight: 351.46352

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C3C1=CCC4=C3C(=C(C=C4)C=CC5=CC=CC=[N+]5CCN)C=C2

Isomeric SMILES

C1C=CC2=C3C1=CCC4=C3C(=C(C=C4)/C=C/C5=CC=CC=[N+]5CCN)C=C2

InChI

InChI=1S/C25H23N2/c26-15-17-27-16-2-1-6-22(27)13-11-18-7-8-21-10-9-19-4-3-5-20-12-14-23(18)25(21)24(19)20/h1-3,5-9,11-14,16H,4,10,15,17,26H2/q+1/b13-11+