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

Systemtic Name: (E)-3-(3-butyl-1H-imidazol-3-ium-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-butyl-1H-imidazol-3-ium-4-yl)prop-2-enoic acid CAS Name: (E)-3-(3-butyl-1H-imidazol-3-ium-4-yl)-2-propenoic acid IUPAC Name: (E)-3-(3-butyl-1H-imidazol-3-ium-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-butyl-1H-imidazol-3-ium-4-yl)acrylic acid Formula: C10H15N2O2+ MolecularWeight: 195.2383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-2-3-6-12-8-11-7-9(12)4-5-10(13)14/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)/p+1/b5-4+