4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyliminomethylazanium

Systemtic Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyliminomethylazanium Openeye Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyliminomethylammonium CAS Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyliminomethylammonium IUPAC Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyliminomethylazanium Traditional Name: 4-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)butyliminomethylammonium Formula: C12H27N4+3 MolecularWeight: 227.36958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26N4/c1-15-6-9-16(10-7-15,11-8-15)5-3-2-4-14-12-13/h12H,2-11H2,1H3,(H2,13,14)/q+2/p+1