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

Systemtic Name: (E)-3-(1-butylpyridin-1-ium-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(1-butylpyridin-1-ium-2-yl)prop-2-enoic acid CAS Name: (E)-3-(1-butyl-2-pyridin-1-iumyl)-2-propenoic acid IUPAC Name: (E)-3-(1-butylpyridin-1-ium-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-butylpyridin-1-ium-2-yl)acrylic acid Formula: C12H16NO2+ MolecularWeight: 206.26094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1C=CC(=O)O

Isomeric SMILES

CCCC[N+]1=CC=CC=C1/C=C/C(=O)O

InChI

InChI=1S/C12H15NO2/c1-2-3-9-13-10-5-4-6-11(13)7-8-12(14)15/h4-8,10H,2-3,9H2,1H3/p+1/b8-7+