2-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]ethyliminomethylazanium

Systemtic Name: 2-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]ethyliminomethylazanium Openeye Name: 2-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]ethyliminomethylammonium CAS Name: 2-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]ethyliminomethylammonium IUPAC Name: 2-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]ethyliminomethylazanium Traditional Name: 2-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]ethyliminomethylammonium Formula: C12H26N5O+3 MolecularWeight: 256.36774

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CC[N+](CC1)(CC2)CC(=O)NCCN=C[NH3+]

Isomeric SMILES

C[N+]12CC[N+](CC1)(CC2)CC(=O)NCCN=C[NH3+]

InChI

InChI=1S/C12H24N5O/c1-16-4-7-17(8-5-16,9-6-16)10-12(18)15-3-2-14-11-13/h11H,2-10H2,1H3,(H2-,13,14,15,18)/q+1/p+2