[(3R)-3-(4-methylpiperazin-4-ium-1-yl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylazanium

Systemtic Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylazanium Openeye Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)quinuclidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-3-(4-methyl-1-piperazin-4-iumyl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylammonium IUPAC Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)-1-azoniabicyclo[2.2.2]octan-3-yl]methylazanium Traditional Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)quinuclidin-1-ium-3-yl]methylammonium Formula: C13H29N4+3 MolecularWeight: 241.39616

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2(C[NH+]3CCC2CC3)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@]2(C[NH+]3CCC2CC3)C[NH3+]

InChI

InChI=1S/C13H26N4/c1-15-6-8-17(9-7-15)13(10-14)11-16-4-2-12(13)3-5-16/h12H,2-11,14H2,1H3/p+3/t13-/m1/s1