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

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

Systemtic Name:2-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethylamino]ethyliminomethylazanium
Openeye Name:2-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethylamino]ethyliminomethylammonium
CAS Name:2-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethylamino]ethyliminomethylammonium
IUPAC Name:2-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethylamino]ethyliminomethylazanium
Traditional Name:2-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethylamino]ethyliminomethylammonium
Formula: C12H28N5+3
MolecularWeight: 242.38422
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H27N5/c1-16-6-9-17(10-7-16,11-8-16)5-4-14-2-3-15-12-13/h12,14H,2-11H2,1H3,(H2,13,15)/q+2/p+1


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