ethyl 2-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-methyl-4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-methyl-4-[(E)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-methyl-4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C22H22BrNO2 MolecularWeight: 412.31958

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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)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO2.BrH/c1-3-25-22(24)16-23-14-13-18(17(2)15-23)11-12-20-9-6-8-19-7-4-5-10-21(19)20;/h4-15H,3,16H2,1-2H3;1H/q+1;/p-1/b12-11+;