(E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide

Systemtic Name: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide Openeye Name: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide CAS Name: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methyl-4-pyridin-1-iumyl)-2-propen-1-one iodide IUPAC Name: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide Traditional Name: (E)-1-acenaphthen-5-yl-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide Formula: C21H18INO MolecularWeight: 427.27819

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C(=O)C2=C3C=CC=C4C3=C(CC4)C=C2.[I-]

InChI

InChI=1S/C21H18NO.HI/c1-22-13-11-15(12-14-22)5-10-20(23)18-9-8-17-7-6-16-3-2-4-19(18)21(16)17;/h2-5,8-14H,6-7H2,1H3;1H/q+1;/p-1/b10-5+;