(E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoic acid bromide

Systemtic Name: (E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoic acid bromide Openeye Name: (E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoic acid bromide CAS Name: (E)-3-(3-methyl-1-pyridin-1-iumyl)-2-propenoic acid bromide IUPAC Name: (E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoic acid bromide Traditional Name: (E)-3-(3-methylpyridin-1-ium-1-yl)acrylic acid bromide Formula: C9H10BrNO2 MolecularWeight: 244.0852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C=CC(=O)O.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.BrH/c1-8-3-2-5-10(7-8)6-4-9(11)12;/h2-7H,1H3;1H/b6-4+;