(E)-4-(3-phenacylimidazol-3-ium-1-yl)pent-3-en-2-one

Systemtic Name: (E)-4-(3-phenacylimidazol-3-ium-1-yl)pent-3-en-2-one Openeye Name: (E)-4-(3-phenacylimidazol-3-ium-1-yl)pent-3-en-2-one CAS Name: (E)-4-(3-phenacyl-1-imidazol-3-iumyl)-3-penten-2-one IUPAC Name: (E)-4-(3-phenacylimidazol-3-ium-1-yl)pent-3-en-2-one Traditional Name: (E)-4-(3-phenacylimidazol-3-ium-1-yl)pent-3-en-2-one Formula: C16H17N2O2+ MolecularWeight: 269.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)N1C=C[N+](=C1)CC(=O)C2=CC=CC=C2

Isomeric SMILES

C/C(=C\C(=O)C)/N1C=C[N+](=C1)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17N2O2/c1-13(10-14(2)19)18-9-8-17(12-18)11-16(20)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3/q+1/b13-10+