3-[5-[(dimethylazaniumyl)methyl]-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 3-[5-[(dimethylazaniumyl)methyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 3-[5-[(dimethylammonio)methyl]tetrazol-1-yl]benzoate CAS Name: 3-[5-[(dimethylammonio)methyl]-1-tetrazolyl]benzoate IUPAC Name: 3-[5-[(dimethylazaniumyl)methyl]tetrazol-1-yl]benzoate Traditional Name: 3-[5-[(dimethylammonio)methyl]tetrazol-1-yl]benzoate Formula: C11H13N5O2 MolecularWeight: 247.25322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NN=NN1C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NN=NN1C2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C11H13N5O2/c1-15(2)7-10-12-13-14-16(10)9-5-3-4-8(6-9)11(17)18/h3-6H,7H2,1-2H3,(H,17,18)