[(1S)-1-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-2-dibenzofuran-3-yl-ethyl]azanium methanoate

Systemtic Name: [(1S)-1-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-2-dibenzofuran-3-yl-ethyl]azanium methanoate Openeye Name: [(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-yl-ethyl]ammonium formate CAS Name: [(1S)-1-[1-(2-cyanoethyl)-5-tetrazolyl]-2-(3-dibenzofuranyl)ethyl]ammonium formate IUPAC Name: [(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]azanium formate Traditional Name: [(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-yl-ethyl]ammonium formate Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)CC(C4=NN=NN4CCC#N)[NH3+].C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C[C@@H](C4=NN=NN4CCC#N)[NH3+].C(=O)[O-]

InChI

InChI=1S/C18H16N6O.CH2O2/c19-8-3-9-24-18(21-22-23-24)15(20)10-12-6-7-14-13-4-1-2-5-16(13)25-17(14)11-12;2-1-3/h1-2,4-7,11,15H,3,9-10,20H2;1H,(H,2,3)/t15-;/m0./s1