[(S)-[1-(2-ethoxy-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]-(4-nitrophenyl)methyl]-dimethyl-azanium

Systemtic Name: [(S)-[1-(2-ethoxy-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]-(4-nitrophenyl)methyl]-dimethyl-azanium Openeye Name: [(S)-[1-(2-ethoxy-2-oxo-ethyl)tetrazol-5-yl]-(4-nitrophenyl)methyl]-dimethyl-ammonium CAS Name: [(S)-[1-(2-ethoxy-2-oxoethyl)-5-tetrazolyl]-(4-nitrophenyl)methyl]-dimethylammonium IUPAC Name: [(S)-[1-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]-(4-nitrophenyl)methyl]-dimethylazanium Traditional Name: [(S)-[1-(2-ethoxy-2-keto-ethyl)tetrazol-5-yl]-(4-nitrophenyl)methyl]-dimethyl-ammonium Formula: C14H19N6O4+ MolecularWeight: 335.33846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NN=N1)C(C2=CC=C(C=C2)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CCOC(=O)CN1C(=NN=N1)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C14H18N6O4/c1-4-24-12(21)9-19-14(15-16-17-19)13(18(2)3)10-5-7-11(8-6-10)20(22)23/h5-8,13H,4,9H2,1-3H3/p+1/t13-/m0/s1