2-[1-(phenylmethyl)-5-propanoyl-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-(phenylmethyl)-5-propanoyl-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate Openeye Name: 2-(1-benzyl-5-propanoyl-tetrazol-1-ium-1-yl)acetate CAS Name: 2-[5-(1-oxopropyl)-1-(phenylmethyl)-1-tetrazol-1-iumyl]acetate IUPAC Name: 2-(1-benzyl-5-propanoyltetrazol-1-ium-1-yl)acetate Traditional Name: 2-(1-benzyl-5-propionyl-tetrazol-1-ium-1-yl)acetate Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NN=N[N+]1(CC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CCC(=O)C1=NN=N[N+]1(CC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C13H14N4O3/c1-2-11(18)13-14-15-16-17(13,9-12(19)20)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3