1-phenyl-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone

Systemtic Name: 1-phenyl-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Openeye Name: 1-phenyl-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone CAS Name: 1-phenyl-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone IUPAC Name: 1-phenyl-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Traditional Name: 1-phenyl-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1CC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=NN(C(=[N+]1CC(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C13H16N3O/c1-10-14-15(3)11(2)16(10)9-13(17)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3/q+1