3-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl-propan-2-yl-azanium

Systemtic Name: 3-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl-propan-2-yl-azanium Openeye Name: 3-[4-(2-amino-2-oxo-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl-isopropyl-ammonium CAS Name: 3-[4-(2-amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl-propan-2-ylammonium IUPAC Name: 3-[4-(2-amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl-propan-2-ylazanium Traditional Name: 3-[4-(2-amino-2-keto-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl-isopropyl-ammonium Formula: C14H31N4O+3 MolecularWeight: 271.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCC[N+]12CC[N+](CC1)(CC2)CC(=O)N

Isomeric SMILES

CC(C)[NH2+]CCC[N+]12CC[N+](CC1)(CC2)CC(=O)N

InChI

InChI=1S/C14H29N4O/c1-13(2)16-4-3-5-17-6-9-18(10-7-17,11-8-17)12-14(15)19/h13,16H,3-12H2,1-2H3,(H-,15,19)/q+1/p+2