1-oxidanylidene-5-(phenylmethyl)-1,2,3-triazolidin-1-ium-4-one

Systemtic Name: 1-oxidanylidene-5-(phenylmethyl)-1,2,3-triazolidin-1-ium-4-one Openeye Name: 5-benzyl-1-oxo-triazolidin-1-ium-4-one CAS Name: 1-oxo-5-(phenylmethyl)-4-triazolidin-1-iumone IUPAC Name: 5-benzyl-1-oxotriazolidin-1-ium-4-one Traditional Name: 5-benzyl-1-keto-triazolidin-1-ium-4-one Formula: C9H10N3O2+ MolecularWeight: 192.1946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NN[N+]2=O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NN[N+]2=O

InChI

InChI=1S/C9H9N3O2/c13-9-8(12(14)11-10-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H-,10,11,13,14)/p+1