(5E)-5-[3-(phenylmethyl)-1,2,3-triazolidin-1-ium-1-ylidene]imidazole-4-carboxamide chloride

Systemtic Name: (5E)-5-[3-(phenylmethyl)-1,2,3-triazolidin-1-ium-1-ylidene]imidazole-4-carboxamide chloride Openeye Name: (5E)-5-(3-benzyltriazolidin-1-ium-1-ylidene)imidazole-4-carboxamide chloride CAS Name: (5E)-5-[3-(phenylmethyl)-1-triazolidin-1-iumylidene]-4-imidazolecarboxamide chloride IUPAC Name: (5E)-5-(3-benzyltriazolidin-1-ium-1-ylidene)imidazole-4-carboxamide chloride Traditional Name: (5E)-5-(3-benzyltriazolidin-1-ium-1-ylidene)imidazole-4-carboxamide chloride Formula: C13H15ClN6O MolecularWeight: 306.7508

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2C(=NC=N2)C(=O)N)NN1CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C/[N+](=C\2/C(=NC=N2)C(=O)N)/NN1CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C13H14N6O.ClH/c14-12(20)11-13(16-9-15-11)19-7-6-18(17-19)8-10-4-2-1-3-5-10;/h1-5,9H,6-8H2,(H2-,14,15,16,17,20);1H