3-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]propyliminomethylazanium

Systemtic Name: 3-[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]propyliminomethylazanium Openeye Name: 3-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]propyliminomethylammonium CAS Name: 3-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]propyliminomethylammonium IUPAC Name: 3-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]propyliminomethylazanium Traditional Name: 3-[[2-(1-methyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]propyliminomethylammonium Formula: C13H28N5O+3 MolecularWeight: 270.39432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N5O/c1-17-5-8-18(9-6-17,10-7-17)11-13(19)16-4-2-3-15-12-14/h12H,2-11H2,1H3,(H2-,14,15,16,19)/q+1/p+2