5-ethanoyl-1-(2-oxidanylidenepropyl)-3-phenyl-2H-1,2,3-triazol-1-ium-4-one

Systemtic Name: 5-ethanoyl-1-(2-oxidanylidenepropyl)-3-phenyl-2H-1,2,3-triazol-1-ium-4-one Openeye Name: 1-acetonyl-5-acetyl-3-phenyl-2H-triazol-1-ium-4-one CAS Name: 5-acetyl-1-(2-oxopropyl)-3-phenyl-2H-triazol-1-ium-4-one IUPAC Name: 5-acetyl-1-(2-oxopropyl)-3-phenyl-2H-triazol-1-ium-4-one Traditional Name: 1-acetonyl-5-acetyl-3-phenyl-2H-triazol-1-ium-4-one Formula: C13H14N3O3+ MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(=O)C[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C13H13N3O3/c1-9(17)8-15-12(10(2)18)13(19)16(14-15)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3/p+1