2-[2-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanoylamino]ethylazanium

Systemtic Name: 2-[2-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanoylamino]ethylazanium Openeye Name: 2-[[2-(4-isopropyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetyl]amino]ethylammonium CAS Name: 2-[[1-oxo-2-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethyl]amino]ethylammonium IUPAC Name: 2-[[2-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetyl]amino]ethylazanium Traditional Name: 2-[[2-(4-isopropyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetyl]amino]ethylammonium Formula: C13H29N4O+3 MolecularWeight: 257.39556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N4O/c1-12(2)17-8-5-16(6-9-17,7-10-17)11-13(18)15-4-3-14/h12H,3-11,14H2,1-2H3/q+1/p+2