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

Systemtic Name: 4-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butylazanium Openeye Name: 4-(4-isopropyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butylammonium CAS Name: 4-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butylammonium IUPAC Name: 4-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butylazanium Traditional Name: 4-(4-isopropyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butylammonium Formula: C13H30N3+3 MolecularWeight: 228.3974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N3/c1-13(2)16-10-7-15(8-11-16,9-12-16)6-4-3-5-14/h13H,3-12,14H2,1-2H3/q+2/p+1