1-[1-(phenylmethyl)-6H-1,2,4-triazin-4-ium-4-yl]propan-2-one

Systemtic Name: 1-[1-(phenylmethyl)-6H-1,2,4-triazin-4-ium-4-yl]propan-2-one Openeye Name: 1-(1-benzyl-6H-1,2,4-triazin-4-ium-4-yl)propan-2-one CAS Name: 1-[1-(phenylmethyl)-6H-1,2,4-triazin-4-ium-4-yl]-2-propanone IUPAC Name: 1-(1-benzyl-6H-1,2,4-triazin-4-ium-4-yl)propan-2-one Traditional Name: 1-(1-benzyl-6H-1,2,4-triazin-4-ium-4-yl)acetone Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CCN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C[N+]1=CCN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N3O/c1-12(17)9-15-7-8-16(14-11-15)10-13-5-3-2-4-6-13/h2-7,11H,8-10H2,1H3/q+1