1-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)propan-2-one

Systemtic Name: 1-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)propan-2-one Openeye Name: 1-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)propan-2-one CAS Name: 1-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-2-propanone IUPAC Name: 1-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)propan-2-one Traditional Name: 1-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)acetone Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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