3-(2-phenylethynyl)-3-propyl-imidazol-3-ium-4-carbaldehyde

Systemtic Name: 3-(2-phenylethynyl)-3-propyl-imidazol-3-ium-4-carbaldehyde Openeye Name: 3-(2-phenylethynyl)-3-propyl-imidazol-3-ium-4-carbaldehyde CAS Name: 3-(2-phenylethynyl)-3-propyl-4-imidazol-3-iumcarboxaldehyde IUPAC Name: 3-(2-phenylethynyl)-3-propylimidazol-3-ium-4-carbaldehyde Traditional Name: 3-(2-phenylethynyl)-3-propyl-imidazol-3-ium-4-carbaldehyde Formula: C15H15N2O+ MolecularWeight: 239.2924

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=NC=C1C=O)C#CC2=CC=CC=C2

Isomeric SMILES

CCC[N+]1(C=NC=C1C=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C15H15N2O/c1-2-9-17(13-16-11-15(17)12-18)10-8-14-6-4-3-5-7-14/h3-7,11-13H,2,9H2,1H3/q+1