ethyl 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[4-[(E)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO2.BrH/c1-2-24-21(23)16-22-14-12-17(13-15-22)10-11-19-8-5-7-18-6-3-4-9-20(18)19;/h3-15H,2,16H2,1H3;1H/q+1;/p-1/b11-10+;