4-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1-aza-4-azoniabicyclo[2.2.2]octane

Systemtic Name: 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1-aza-4-azoniabicyclo[2.2.2]octane Openeye Name: 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1-aza-4-azoniabicyclo[2.2.2]octane CAS Name: 4-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-1-aza-4-azoniabicyclo[2.2.2]octane IUPAC Name: 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1-aza-4-azoniabicyclo[2.2.2]octane Traditional Name: 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1-aza-4-azoniabicyclo[2.2.2]octane Formula: C13H24N4+2 MolecularWeight: 236.35646

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCC[N+]23CCN(CC2)CC3

Isomeric SMILES

C[N+]1=CN(C=C1)CCC[N+]23CCN(CC2)CC3

InChI

InChI=1S/C13H24N4/c1-14-4-5-16(13-14)3-2-9-17-10-6-15(7-11-17)8-12-17/h4-5,13H,2-3,6-12H2,1H3/q+2