(E)-3-(3-methyl-1H-imidazol-3-ium-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-methyl-1H-imidazol-3-ium-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-methyl-1H-imidazol-3-ium-4-yl)prop-2-enoic acid CAS Name: (E)-3-(3-methyl-1H-imidazol-3-ium-4-yl)-2-propenoic acid IUPAC Name: (E)-3-(3-methyl-1H-imidazol-3-ium-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-methyl-1H-imidazol-3-ium-4-yl)acrylic acid Formula: C7H9N2O2+ MolecularWeight: 153.15856

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC=C1C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C7H8N2O2/c1-9-5-8-4-6(9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/p+1/b3-2+