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

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone Formula: C12H15N4O+ MolecularWeight: 231.2737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N4O/c1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h3-7H,8,13H2,1-2H3/q+1