[4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-ethoxy-1,3-bis(oxidanylidene)butan-2-ylidene]-azanylidene-azanium

Systemtic Name: [4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-ethoxy-1,3-bis(oxidanylidene)butan-2-ylidene]-azanylidene-azanium Openeye Name: [3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-ethoxycarbonyl-2-oxo-propylidene]-imino-ammonium CAS Name: [4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-ethoxy-1,3-dioxobutan-2-ylidene]-iminoammonium IUPAC Name: [4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-ethoxy-1,3-dioxobutan-2-ylidene]-iminoazanium Traditional Name: [3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-carbethoxy-2-keto-propylidene]-imino-ammonium Formula: C12H20N4O3+2 MolecularWeight: 268.3122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=[N+]=N)C(=O)C[N+]12CCN(CC1)CC2

Isomeric SMILES

CCOC(=O)C(=[N+]=N)C(=O)C[N+]12CCN(CC1)CC2

InChI

InChI=1S/C12H20N4O3/c1-2-19-12(18)11(14-13)10(17)9-16-6-3-15(4-7-16)5-8-16/h13H,2-9H2,1H3/q+2