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

Systemtic Name: 3-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanoic acid bromide Openeye Name: 3-[3-methyl-4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]propanoic acid bromide CAS Name: 3-[3-methyl-4-[(E)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid bromide IUPAC Name: 3-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanoic acid bromide Traditional Name: 3-[3-methyl-4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]propionic acid bromide Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1)CCC(=O)O)C=CC2=CC=CC3=CC=CC=C32.[Br-]

Isomeric SMILES

CC1=C(C=C[N+](=C1)CCC(=O)O)/C=C/C2=CC=CC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C21H19NO2.BrH/c1-16-15-22(14-12-21(23)24)13-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19;/h2-11,13,15H,12,14H2,1H3;1H/b10-9+;