(E)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-diazonio-1-ethoxy-3-oxidanylidene-but-1-en-1-olate bromide

Systemtic Name: (E)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-diazonio-1-ethoxy-3-oxidanylidene-but-1-en-1-olate bromide Openeye Name: (E)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-diazonio-1-ethoxy-3-oxo-but-1-en-1-olate bromide CAS Name: (E)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-diazonio-1-ethoxy-3-oxo-1-buten-1-olate bromide IUPAC Name: (E)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-diazonio-1-ethoxy-3-oxobut-1-en-1-olate bromide Traditional Name: (E)-4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-diazonio-1-ethoxy-3-keto-but-1-en-1-olate bromide Formula: C12H19BrN4O3 MolecularWeight: 347.20826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C[N+]12CCN(CC1)CC2)[N+]#N)[O-].[Br-]

Isomeric SMILES

CCO/C(=C(\C(=O)C[N+]12CCN(CC1)CC2)/[N+]#N)/[O-].[Br-]

InChI

InChI=1S/C12H19N4O3.BrH/c1-2-19-12(18)11(14-13)10(17)9-16-6-3-15(4-7-16)5-8-16;/h2-9H2,1H3;1H/q+1;/p-1