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

Systemtic Name: 4-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]butyliminomethylazanium Openeye Name: 4-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]butyliminomethylammonium CAS Name: 4-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]butyliminomethylammonium IUPAC Name: 4-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]butyliminomethylazanium Traditional Name: 4-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]butyliminomethylammonium Formula: C14H30N5O+3 MolecularWeight: 284.4209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28N5O/c1-18-6-9-19(10-7-18,11-8-18)12-14(20)17-5-3-2-4-16-13-15/h13H,2-12H2,1H3,(H2-,15,16,17,20)/q+1/p+2