diethyl 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanedioate bromide

Systemtic Name: diethyl 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanedioate bromide Openeye Name: diethyl 2-[4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]propanedioate bromide CAS Name: 2-[4-[(E)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]propanedioic acid diethyl ester bromide IUPAC Name: diethyl 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanedioate bromide Traditional Name: 2-[4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]malonic acid diethyl ester bromide Formula: C24H24BrNO4 MolecularWeight: 470.35566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)[N+]1=CC=C(C=C1)C=CC2=CC=CC3=CC=CC=C32.[Br-]

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)[N+]1=CC=C(C=C1)/C=C/C2=CC=CC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C24H24NO4.BrH/c1-3-28-23(26)22(24(27)29-4-2)25-16-14-18(15-17-25)12-13-20-10-7-9-19-8-5-6-11-21(19)20;/h5-17,22H,3-4H2,1-2H3;1H/q+1;/p-1/b13-12+;