N-[4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]ethanamide

Systemtic Name: N-[4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]ethanamide Openeye Name: N-(4-benzyl-1,2,4-triazol-4-ium-1-yl)acetamide CAS Name: N-[4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]acetamide IUPAC Name: N-(4-benzyl-1,2,4-triazol-4-ium-1-yl)acetamide Traditional Name: N-(4-benzyl-1,2,4-triazol-4-ium-1-yl)acetamide Formula: C11H13N4O+ MolecularWeight: 217.24712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C=[N+](C=N1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NN1C=[N+](C=N1)CC2=CC=CC=C2

InChI

InChI=1S/C11H12N4O/c1-10(16)13-15-9-14(8-12-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3/p+1