[(E)-4-methoxy-4-oxidanylidene-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]azanium

Systemtic Name: [(E)-4-methoxy-4-oxidanylidene-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]azanium Openeye Name: [(1E)-3-methoxy-3-oxo-1-(1,2,4-triazol-1-ylmethylene)propyl]ammonium CAS Name: [(E)-4-methoxy-4-oxo-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]ammonium IUPAC Name: [(E)-4-methoxy-4-oxo-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]azanium Traditional Name: [(E)-1-(2-keto-2-methoxy-ethyl)-2-(1,2,4-triazol-1-yl)vinyl]ammonium Formula: C7H11N4O2+ MolecularWeight: 183.18784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=CN1C=NC=N1)[NH3+]

Isomeric SMILES

COC(=O)C/C(=C\N1C=NC=N1)/[NH3+]

InChI

InChI=1S/C7H10N4O2/c1-13-7(12)2-6(8)3-11-5-9-4-10-11/h3-5H,2,8H2,1H3/p+1/b6-3+